data_1wrg_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 1wrg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 24' ' ' THR . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.45 ' HA ' HG21 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 37' ' ' ALA . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 38' ' ' HIS . 3.8 m . . . . . 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 24' ' ' THR . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 32' ' ' GLY . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 3.6 m-70 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 38' ' ' HIS . 7.5 p . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 19' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' GLY . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' HIS . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 38' ' ' HIS . 9.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.564 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 23' ' ' PHE . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 24' ' ' THR . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 30' ' ' PHE . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 26' ' ' SER . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 40' ' ' LEU . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.568 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' N ' HD12 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' CG1' ' HA ' ' A' ' 19' ' ' PHE . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.671 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' LEU . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.632 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.238 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 28' ' ' LEU . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.62 ' N ' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.05 -31.39 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.5 m -64.6 158.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -173.53 100.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 31.85 40.14 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -162.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -64.26 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 110.697 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.52 -12.06 29.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.573 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -57.07 -26.84 61.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.864 0.364 . . . . 0.0 110.234 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.77 -28.02 57.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 24' ' ' THR . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.45 ' HA ' HG21 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 37' ' ' ALA . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 38' ' ' HIS . 3.8 m -67.65 -21.7 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' O ' ' CG ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER 72.86 6.55 5.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.843 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG22 ' HB ' ' A' ' 41' ' ' VAL . 7.4 tp -124.18 -37.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 0.0 111.409 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.1 t90 38.17 83.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.725 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 178.03 -51.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 25.3 Cg_exo -63.08 -55.26 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.587 2.191 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.4 t90 63.53 85.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 31.7 t 57.71 53.9 6.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 61.3 Cg_endo -73.22 -44.93 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -169.64 51.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.66 88.0 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.579 2.186 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -176.65 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.44 -171.91 5.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.32 31.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -96.74 129.07 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 21.5 t -152.03 -48.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 26.5 ttmt 89.36 44.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.802 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.55 -40.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.6 -47.71 81.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 86.9 p -173.98 73.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 7' ' ' SER . 5.3 mp -166.81 -29.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -54.37 -30.49 52.02 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.025 0.441 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -22.08 79.13 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.647 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 24' ' ' THR . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 32' ' ' GLY . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 46' ' ' PRO . 3.6 m-70 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 38' ' ' HIS . 7.5 p -66.47 -12.63 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 t90 69.0 65.51 0.29 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 44' ' ' TRP . 31.7 mm -145.15 -39.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.205 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 86.65 30.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -178.97 156.84 0.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HA ' ' CD2' ' A' ' 38' ' ' HIS . 32.9 Cg_endo -64.48 117.87 4.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.525 2.15 . . . . 0.0 112.221 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -53.17 -29.11 29.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.5 t -72.49 111.25 10.32 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.93 69.88 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.91 155.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.631 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -28.07 19.7 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.318 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -130.15 32.26 4.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 170.64 33.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -81.65 162.01 23.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.359 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 60.66 32.41 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 m -97.47 89.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -173.63 46.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LYS . 9.8 pt20 30.43 47.48 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.65 -35.88 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -173.87 34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -6.4 7.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.069 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -56.22 -23.5 36.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.921 0.391 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.32 -32.8 46.39 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.01 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 19' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' GLY . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' HIS . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' HA ' ' CD ' ' A' ' 46' ' ' PRO . 9.6 p -67.53 -25.54 33.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 0.0 110.0 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.87 32.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.09 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.58 -165.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 60.41 46.12 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 0.0 111.488 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' CD ' ' HA ' ' A' ' 41' ' ' VAL . 52.2 Cg_endo -90.32 -164.15 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.141 2.56 . . . . 0.0 112.159 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.1 t90 44.96 -90.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.641 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 31.1 m -66.43 111.39 6.63 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.514 0.197 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.09 82.73 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.56 155.74 7.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 154.4 63.77 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.621 2.214 . . . . 0.0 112.246 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.43 76.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.89 19.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 60.74 80.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.888 0.375 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.67 74.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -117.9 85.1 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.013 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.99 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.03 105.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -47.0 37.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 10.2 t -67.84 -153.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.248 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 7' ' ' SER . 24.9 mt 91.82 -21.18 0.1 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.323 0.649 . . . . 0.0 111.344 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -56.85 -32.9 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 109.863 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.97 -22.16 77.26 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.757 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.62 -9.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.47 ' CD2' ' HA ' ' A' ' 49' ' ' PRO . 7.0 t90 51.68 64.85 1.68 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.991 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 44' ' ' TRP . 1.9 mp 68.12 10.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.622 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER 83.46 -71.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.517 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 7.7 mtt180 -55.45 -62.67 4.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.709 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 45' ' ' ARG . 72.5 Cg_exo -47.35 -43.08 27.26 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.362 2.042 . . . . 0.0 112.596 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' O ' ' O ' ' A' ' 48' ' ' VAL . 37.8 t-105 64.22 120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 47' ' ' TRP . 15.4 m 45.87 116.37 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.356 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 42' ' ' TRP . 17.7 Cg_endo -59.77 -79.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.405 2.07 . . . . 0.0 112.395 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.78 -57.06 0.48 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.614 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.44 -23.19 18.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.611 2.207 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -50.13 -28.34 7.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.79 -123.16 3.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 58.29 36.04 25.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.847 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.94 -39.28 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' LYS . 11.1 p -178.39 -44.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' VAL . 40.5 mtmt 31.42 40.75 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.098 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -79.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.29 -73.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.454 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -67.5 -158.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.614 178.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' SER . 0.3 OUTLIER 81.85 -44.62 0.17 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.476 0.31 . . . . 0.0 111.602 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -28.77 35.93 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.09 69.54 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.653 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.564 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 46' ' ' PRO . 7.9 p -65.77 -26.05 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 60.95 22.85 13.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -156.33 18.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 32.28 38.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 56.4 mtt180 -152.91 47.77 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.725 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 45' ' ' ARG . 84.9 Cg_endo -82.49 -43.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.458 2.105 . . . . 0.0 112.349 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -141.71 -80.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.311 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.57 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 8.1 p -94.17 -32.23 0.29 Allowed Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 68.1 Cg_exo -51.32 114.45 1.56 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.822 1.681 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.13 151.3 20.5 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 -38.35 7.14 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.549 2.166 . . . . 0.0 112.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.36 76.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.82 -71.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 62.89 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.93 -34.3 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' LYS . 26.4 t -93.97 -69.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER 30.23 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.928 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 90.5 122.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -132.34 -68.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -68.06 63.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.6 -26.27 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.617 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -55.22 -29.29 57.69 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.92 -24.91 61.01 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.683 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CG1' ' HA ' ' A' ' 19' ' ' PHE . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 24' ' ' THR . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 30' ' ' PHE . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 26' ' ' SER . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 40' ' ' LEU . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.2 m -70.2 -30.77 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.23 -26.92 31.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 9.5 tp -58.31 -31.13 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 7.4 m95 -170.18 -44.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -59.52 175.6 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 45' ' ' ARG . 36.1 Cg_exo -57.8 -157.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.736 2.29 . . . . 0.0 112.355 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -149.33 40.26 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -110.63 136.46 20.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.78 101.08 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.76 -175.22 43.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.65 -37.03 63.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.634 2.222 . . . . 0.0 112.258 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -175.31 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 132.66 -107.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 54.7 p90 44.99 30.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.392 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.914 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -133.74 -65.87 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 m -159.19 -44.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 178.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 31.93 38.54 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.984 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -137.47 14.44 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.48 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.73 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -63.14 -12.43 27.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.793 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -57.85 -22.42 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.339 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.4 -36.59 38.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.955 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 8' ' ' LEU . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 p -68.01 -29.53 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 1.8 t-105 -150.54 38.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 44' ' ' TRP . 2.0 tt 45.03 38.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.725 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' CZ3' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 84.46 103.84 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 3.3 mmm-85 -177.42 -66.15 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 29.9 Cg_endo -66.82 -75.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.231 1.954 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 2.1 p90 53.92 148.5 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.219 0.533 . . . . 0.0 111.8 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.6 t -155.7 53.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.009 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.65 -43.17 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.563 2.175 . . . . 0.0 112.314 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.48 -90.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.33 -47.25 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.561 2.174 . . . . 0.0 112.499 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -60.35 164.29 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 129.69 -50.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 53.5 p90 45.03 30.64 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.852 0.358 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.51 -55.18 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 12.3 m -119.13 -43.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 5.4 tttt 90.78 -45.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -171.96 30.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.185 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 7' ' ' SER . 12.4 mm-40 45.09 71.17 0.28 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.2 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.613 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 37.3 t 85.42 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.679 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.0 mt -63.1 -13.0 31.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.433 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -22.62 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.449 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.02 -31.58 47.56 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' N ' HD12 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' CG1' ' HA ' ' A' ' 19' ' ' PHE . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.671 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 44' ' ' TRP . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.2 p -165.34 32.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 23.6 t90 -129.46 -86.63 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.173 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 tp -160.41 21.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.604 0.24 . . . . 0.0 111.64 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CD1' HD23 ' A' ' 39' ' ' LEU . 44.2 t-105 -72.1 -53.16 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 177.83 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 28.5 Cg_exo -61.45 -66.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.529 2.153 . . . . 0.0 112.367 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.444 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 62.85 144.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.57 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 9.6 p -71.18 -33.19 2.65 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 83.9 Cg_endo -81.87 82.48 2.32 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.924 1.75 . . . . 0.0 112.456 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 148.56 11.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.26 -62.14 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.255 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -96.29 -178.35 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.08 -33.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -81.66 169.14 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.929 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -177.04 -39.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -101.24 -171.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.6 tttm 90.48 -55.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -27.9 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' SER . 1.4 mm-40 69.06 93.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.5 p 94.21 -26.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' N ' HG13 ' A' ' 11' ' ' ILE . 8.5 mp 30.36 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' SER . 36.9 t -53.63 -31.18 46.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.51 -23.2 65.56 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 8' ' ' LEU . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 19' ' ' PHE . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 28' ' ' LEU . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.632 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.95 -27.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.442 ' CD1' HG13 ' A' ' 43' ' ' ILE . 18.0 t-105 -153.41 -76.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.716 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 42' ' ' TRP . 1.3 pp -171.49 31.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.198 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 82.2 16.48 0.41 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.401 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.6 tmm_? -78.61 -59.93 0.64 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 32.5 Cg_endo -64.45 -85.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.141 1.894 . . . . 0.0 112.441 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 56.11 22.07 5.67 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.62 0.248 . . . . 0.0 111.372 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -179.11 162.53 1.0 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.46 2.71 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.511 2.141 . . . . 0.0 112.268 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.63 78.89 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.55 -45.6 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.617 2.211 . . . . 0.0 112.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.26 -37.03 85.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.17 -71.81 0.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 3.0 p90 -158.39 -51.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.865 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.96 178.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 11.1 p -171.69 145.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.2 tttp 89.64 17.16 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.256 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -173.34 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 69.71 -62.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.464 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.35 -26.73 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.275 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.748 ' O ' ' N ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 15.63 -81.53 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' SER . 24.4 t 21.37 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . . . -65.48 -26.03 71.66 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' LEU . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 28' ' ' LEU . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' HIS . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.62 ' N ' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.5 m -68.24 -29.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -63.66 -27.3 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.11 31.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 13.7 t-105 -169.74 49.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.755 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mmm-85 62.84 146.77 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 10.4 Cg_exo -71.2 151.69 61.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t90 56.41 34.24 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.275 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -167.88 81.88 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.69 -57.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.608 2.205 . . . . 0.0 112.241 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 44' ' ' TRP . . . 75.45 61.58 2.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.32 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.67 2.246 . . . . 0.0 112.266 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -132.94 -49.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.69 77.38 1.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -158.33 31.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.932 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLU . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.869 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.708 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 24' ' ' THR . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 25' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.65 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' PHE . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD2' HD23 ' A' ' 40' ' ' LEU . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' O ' HG22 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 41' ' ' VAL . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.8 m . . . . . 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.853 HG23 ' O ' ' A' ' 18' ' ' GLU . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.916 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 24' ' ' THR . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 29' ' ' VAL . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.58 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 40' ' ' LEU . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.937 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.6 m-70 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 36' ' ' PHE . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.5 p . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.786 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 24' ' ' THR . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.979 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.594 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.742 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.929 ' O ' HG12 ' A' ' 41' ' ' VAL . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 36' ' ' PHE . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.929 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HD1' HD11 ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 18' ' ' GLU . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.749 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.931 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 37' ' ' ALA . 16.5 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.739 ' O ' HG22 ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 41' ' ' VAL . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.9 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' HIS . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 22' ' ' ILE . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.679 ' N ' HD12 ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 25' ' ' SER . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.77 ' O ' HG13 ' A' ' 33' ' ' VAL . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' HG12 ' A' ' 29' ' ' VAL . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 29' ' ' VAL . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.597 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.806 ' O ' HD13 ' A' ' 40' ' ' LEU . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 35' ' ' ALA . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 36' ' ' PHE . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' GLU . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 27' ' ' ILE . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.888 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 24' ' ' THR . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.883 ' O ' HG12 ' A' ' 41' ' ' VAL . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 38' ' ' HIS . 6.4 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.568 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' HD13 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 22' ' ' ILE . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.692 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.688 ' N ' HD12 ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 23' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.837 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' ALA . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.043 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.83 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 18' ' ' GLU . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.998 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.998 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.61 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.936 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.882 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.8 p . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.238 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.789 ' O ' HD13 ' A' ' 27' ' ' ILE . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 41' ' ' VAL . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 36' ' ' PHE . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 38' ' ' HIS . 33.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.05 -31.39 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 8' ' ' LEU . 6.5 m -64.6 158.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -173.53 100.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 31.85 40.14 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -162.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -64.26 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 110.697 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD21 HG12 ' A' ' 3' ' ' VAL . 1.9 pp -63.52 -12.06 29.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.573 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -57.07 -26.84 61.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.864 0.364 . . . . 0.0 110.234 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.77 -28.02 57.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLU . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.869 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.708 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 24' ' ' THR . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 25' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.65 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' PHE . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD2' HD23 ' A' ' 40' ' ' LEU . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' O ' HG22 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 41' ' ' VAL . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.8 m -67.65 -21.7 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER 72.86 6.55 5.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.843 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 46' ' ' PRO . 7.4 tp -124.18 -37.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 0.0 111.409 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.1 t90 38.17 83.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.725 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 178.03 -51.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 43' ' ' ILE . 25.3 Cg_exo -63.08 -55.26 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.587 2.191 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.675 ' HD1' HG23 ' A' ' 48' ' ' VAL . 4.4 t90 63.53 85.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.675 HG23 ' HD1' ' A' ' 47' ' ' TRP . 31.7 t 57.71 53.9 6.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 61.3 Cg_endo -73.22 -44.93 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -169.64 51.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.66 88.0 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.579 2.186 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -176.65 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.44 -171.91 5.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.32 31.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -96.74 129.07 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 21.5 t -152.03 -48.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 26.5 ttmt 89.36 44.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.802 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.55 -40.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.6 -47.71 81.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 8' ' ' LEU . 86.9 p -173.98 73.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 7' ' ' SER . 5.3 mp -166.81 -29.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -54.37 -30.49 52.02 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.025 0.441 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -22.08 79.13 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.647 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.853 HG23 ' O ' ' A' ' 18' ' ' GLU . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.916 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 24' ' ' THR . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 29' ' ' VAL . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.58 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 40' ' ' LEU . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.937 ' O ' HG12 ' A' ' 41' ' ' VAL . 64.8 m170 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 36' ' ' PHE . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.5 p -66.47 -12.63 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.672 ' O ' HD13 ' A' ' 43' ' ' ILE . 1.3 t90 69.0 65.51 0.29 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.673 HG12 HG13 ' A' ' 41' ' ' VAL . 31.7 mm -145.15 -39.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.205 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 86.65 30.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG2' HG22 ' A' ' 43' ' ' ILE . 6.1 ptp85 -178.97 156.84 0.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.48 117.87 4.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.525 2.15 . . . . 0.0 112.221 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -53.17 -29.11 29.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.5 t -72.49 111.25 10.32 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.93 69.88 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.91 155.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.631 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -28.07 19.7 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.318 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -130.15 32.26 4.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 170.64 33.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -81.65 162.01 23.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.359 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 60.66 32.41 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 3' ' ' VAL . 7.2 m -97.47 89.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -173.63 46.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LYS . 9.8 pt20 30.43 47.48 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.65 -35.88 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -173.87 34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.55 -6.4 7.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.069 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -56.22 -23.5 36.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.921 0.391 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.32 -32.8 46.39 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.01 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.786 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 24' ' ' THR . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.979 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.594 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.742 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.929 ' O ' HG12 ' A' ' 41' ' ' VAL . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 36' ' ' PHE . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.929 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.6 p -67.53 -25.54 33.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 0.0 110.0 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.5 pp -135.87 32.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.09 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.58 -165.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -133.73 60.41 46.12 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 0.0 111.488 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' CD ' ' HA ' ' A' ' 41' ' ' VAL . 52.2 Cg_endo -90.32 -164.15 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.141 2.56 . . . . 0.0 112.159 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CE3' HG13 ' A' ' 48' ' ' VAL . 23.1 t90 44.96 -90.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.641 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 48' ' ' VAL . 31.1 m -66.43 111.39 6.63 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.514 0.197 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.09 82.73 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.56 155.74 7.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 154.4 63.77 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.621 2.214 . . . . 0.0 112.246 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.43 76.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.89 19.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 60.74 80.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.888 0.375 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.67 74.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -117.9 85.1 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.013 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.99 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -173.03 105.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -47.0 37.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 10.2 t -67.84 -153.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.248 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 5' ' ' GLN . 24.9 mt 91.82 -21.18 0.1 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.323 0.649 . . . . 0.0 111.344 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -56.85 -32.9 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 109.863 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.97 -22.16 77.26 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.757 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 HD22 ' A' ' 8' ' ' LEU . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HD1' HD11 ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 18' ' ' GLU . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.749 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.931 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 37' ' ' ALA . 16.5 m -69.62 -9.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CD1' HD12 ' A' ' 43' ' ' ILE . 7.0 t90 51.68 64.85 1.68 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.991 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.9 mp 68.12 10.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.622 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.553 ' H ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 83.46 -71.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.517 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 7.7 mtt180 -55.45 -62.67 4.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.709 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 45' ' ' ARG . 72.5 Cg_exo -47.35 -43.08 27.26 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.362 2.042 . . . . 0.0 112.596 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' O ' ' O ' ' A' ' 48' ' ' VAL . 37.8 t-105 64.22 120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 47' ' ' TRP . 15.4 m 45.87 116.37 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.356 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' A' ' 42' ' ' TRP . 17.7 Cg_endo -59.77 -79.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.405 2.07 . . . . 0.0 112.395 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.78 -57.06 0.48 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.614 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.44 -23.19 18.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.611 2.207 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -50.13 -28.34 7.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.79 -123.16 3.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 58.29 36.04 25.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.847 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.94 -39.28 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 4' ' ' LYS . 11.1 p -178.39 -44.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' HG13 ' A' ' 3' ' ' VAL . 40.5 mtmt 31.42 40.75 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.098 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -79.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.29 -73.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.454 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -67.5 -158.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.614 178.614 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 7' ' ' SER . 0.3 OUTLIER 81.85 -44.62 0.17 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.476 0.31 . . . . 0.0 111.602 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -28.77 35.93 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.09 69.54 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.653 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' LEU . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.739 ' O ' HG22 ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 41' ' ' VAL . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.9 p -65.77 -26.05 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER 60.95 22.85 13.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.849 ' H ' HG13 ' A' ' 41' ' ' VAL . 2.2 pt -156.33 18.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 32.28 38.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.626 ' HB2' HD12 ' A' ' 43' ' ' ILE . 56.4 mtt180 -152.91 47.77 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.725 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.641 ' HD3' HG11 ' A' ' 41' ' ' VAL . 84.9 Cg_endo -82.49 -43.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.458 2.105 . . . . 0.0 112.349 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' H ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -141.71 -80.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.311 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG12 ' HD3' ' A' ' 49' ' ' PRO . 8.1 p -94.17 -32.23 0.29 Allowed Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HD3' HG12 ' A' ' 48' ' ' VAL . 68.1 Cg_exo -51.32 114.45 1.56 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.822 1.681 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.13 151.3 20.5 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 -38.35 7.14 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.549 2.166 . . . . 0.0 112.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.36 76.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.82 -71.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 62.89 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.93 -34.3 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' LYS . 26.4 t -93.97 -69.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER 30.23 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.928 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.809 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER 90.5 122.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -132.34 -68.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.694 ' C ' HD23 ' A' ' 8' ' ' LEU . 8.7 t -68.06 63.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.6 -26.27 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.617 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -55.22 -29.29 57.69 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.92 -24.91 61.01 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.683 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' HIS . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 22' ' ' ILE . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.679 ' N ' HD12 ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 25' ' ' SER . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.77 ' O ' HG13 ' A' ' 33' ' ' VAL . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' HG12 ' A' ' 29' ' ' VAL . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 29' ' ' VAL . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.597 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.806 ' O ' HD13 ' A' ' 40' ' ' LEU . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 35' ' ' ALA . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 36' ' ' PHE . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.2 m -70.2 -30.77 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' HIS . 18.7 t90 -54.23 -26.92 31.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.032 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.5 tp -58.31 -31.13 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 7.4 m95 -170.18 -44.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -59.52 175.6 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 45' ' ' ARG . 36.1 Cg_exo -57.8 -157.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.736 2.29 . . . . 0.0 112.355 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -149.33 40.26 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG23 ' HD2' ' A' ' 49' ' ' PRO . 9.5 p -110.63 136.46 20.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 48' ' ' VAL . 58.5 Cg_endo -71.78 101.08 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.76 -175.22 43.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.65 -37.03 63.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.634 2.222 . . . . 0.0 112.258 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -175.31 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 132.66 -107.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 54.7 p90 44.99 30.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.392 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.914 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 3' ' ' VAL . 1.9 mm-40 -133.74 -65.87 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 2' ' ' GLU . 5.4 m -159.19 -44.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.46 178.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 31.93 38.54 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.984 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -137.47 14.44 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.48 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.73 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -63.14 -12.43 27.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.793 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -57.85 -22.42 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.339 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.4 -36.59 38.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.955 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 8' ' ' LEU . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' GLU . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 27' ' ' ILE . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.888 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 24' ' ' THR . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.883 ' O ' HG12 ' A' ' 41' ' ' VAL . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 38' ' ' HIS . 6.4 p -68.01 -29.53 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 1.8 t-105 -150.54 38.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 42' ' ' TRP . 2.0 tt 45.03 38.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.725 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' CZ3' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 84.46 103.84 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 3.3 mmm-85 -177.42 -66.15 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 29.9 Cg_endo -66.82 -75.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.231 1.954 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 2.1 p90 53.92 148.5 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.219 0.533 . . . . 0.0 111.8 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 48' ' ' VAL . 36.6 t -155.7 53.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 48' ' ' VAL . 87.8 Cg_endo -78.65 -43.17 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.563 2.175 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.48 -90.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.33 -47.25 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.561 2.174 . . . . 0.0 112.499 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -60.35 164.29 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 129.69 -50.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 53.5 p90 45.03 30.64 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.852 0.358 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.51 -55.18 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 12.3 m -119.13 -43.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 8' ' ' LEU . 5.4 tttt 90.78 -45.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -171.96 30.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.185 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 7' ' ' SER . 12.4 mm-40 45.09 71.17 0.28 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.2 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 37.3 t 85.42 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.679 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 4' ' ' LYS . 2.0 mt -63.1 -13.0 31.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.433 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -22.62 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.449 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.02 -31.58 47.56 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' HD13 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 22' ' ' ILE . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.692 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.688 ' N ' HD12 ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 23' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.837 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 44' ' ' TRP . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.043 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -165.34 32.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 23.6 t90 -129.46 -86.63 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.173 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 tp -160.41 21.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.604 0.24 . . . . 0.0 111.64 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.702 ' CG ' HD23 ' A' ' 39' ' ' LEU . 44.2 t-105 -72.1 -53.16 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 177.83 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 28.5 Cg_exo -61.45 -66.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.529 2.153 . . . . 0.0 112.367 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 62.85 144.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.57 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.708 ' HB ' HG23 ' A' ' 41' ' ' VAL . 9.6 p -71.18 -33.19 2.65 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HD3' HG12 ' A' ' 48' ' ' VAL . 83.9 Cg_endo -81.87 82.48 2.32 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.924 1.75 . . . . 0.0 112.456 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 148.56 11.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.26 -62.14 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.255 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -96.29 -178.35 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.08 -33.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -81.66 169.14 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.929 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 8' ' ' LEU . 7.9 tt0 -177.04 -39.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -101.24 -171.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.6 tttm 90.48 -55.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.631 ' O ' HD11 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -66.22 -27.9 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' SER . 1.4 mm-40 69.06 93.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.5 p 94.21 -26.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 2' ' ' GLU . 8.5 mp 30.36 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' SER . 36.9 t -53.63 -31.18 46.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.51 -23.2 65.56 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD11 ' O ' ' A' ' 5' ' ' GLN . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.83 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 18' ' ' GLU . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.998 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.998 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.61 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.936 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.882 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.8 p -63.95 -27.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.762 ' O ' HG23 ' A' ' 43' ' ' ILE . 18.0 t-105 -153.41 -76.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.716 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 42' ' ' TRP . 1.3 pp -171.49 31.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.198 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 82.2 16.48 0.41 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.401 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.6 tmm_? -78.61 -59.93 0.64 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 32.5 Cg_endo -64.45 -85.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.141 1.894 . . . . 0.0 112.441 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.761 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 56.11 22.07 5.67 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.62 0.248 . . . . 0.0 111.372 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -179.11 162.53 1.0 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.46 2.71 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.511 2.141 . . . . 0.0 112.268 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.63 78.89 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 58.0 Cg_endo -71.55 -45.6 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.617 2.211 . . . . 0.0 112.419 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.26 -37.03 85.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.17 -71.81 0.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 3.0 p90 -158.39 -51.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.865 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.96 178.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 11.1 p -171.69 145.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.2 tttp 89.64 17.16 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.256 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.749 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -173.34 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 69.71 -62.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.464 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.35 -26.73 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.275 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER 15.63 -81.53 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' SER . 24.4 t 21.37 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . . . -65.48 -26.03 71.66 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' LEU . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.789 ' O ' HD13 ' A' ' 27' ' ' ILE . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 41' ' ' VAL . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 36' ' ' PHE . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 38' ' ' HIS . 33.5 m -68.24 -29.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -63.66 -27.3 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 43' ' ' ILE . 2.7 pp -122.11 31.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.044 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 13.7 t-105 -169.74 49.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.755 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mmm-85 62.84 146.77 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.771 ' O ' HG22 ' A' ' 48' ' ' VAL . 10.4 Cg_exo -71.2 151.69 61.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.9 t90 56.41 34.24 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.275 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -167.88 81.88 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.089 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.69 -57.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.608 2.205 . . . . 0.0 112.241 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 44' ' ' TRP . . . 75.45 61.58 2.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.32 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.67 2.246 . . . . 0.0 112.266 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -132.94 -49.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.69 77.38 1.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -158.33 31.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.932 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLU . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.869 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.708 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 24' ' ' THR . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 25' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.65 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' PHE . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD2' HD23 ' A' ' 40' ' ' LEU . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' O ' HG22 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 41' ' ' VAL . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.8 m . . . . . 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.853 HG23 ' O ' ' A' ' 18' ' ' GLU . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.916 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 24' ' ' THR . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 29' ' ' VAL . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.58 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 40' ' ' LEU . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.937 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.6 m-70 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 36' ' ' PHE . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.5 p . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.786 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 24' ' ' THR . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.979 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.594 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.742 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.929 ' O ' HG12 ' A' ' 41' ' ' VAL . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 36' ' ' PHE . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.929 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HD1' HD11 ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 18' ' ' GLU . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.749 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.931 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 37' ' ' ALA . 16.5 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.739 ' O ' HG22 ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 41' ' ' VAL . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.9 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' HIS . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 22' ' ' ILE . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.679 ' N ' HD12 ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 25' ' ' SER . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.77 ' O ' HG13 ' A' ' 33' ' ' VAL . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' HG12 ' A' ' 29' ' ' VAL . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 29' ' ' VAL . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.597 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.806 ' O ' HD13 ' A' ' 40' ' ' LEU . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 35' ' ' ALA . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 36' ' ' PHE . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' GLU . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 27' ' ' ILE . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.888 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 24' ' ' THR . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.883 ' O ' HG12 ' A' ' 41' ' ' VAL . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 38' ' ' HIS . 6.4 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.568 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' HD13 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 22' ' ' ILE . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.692 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.688 ' N ' HD12 ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 23' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.837 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' ALA . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.043 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.83 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 18' ' ' GLU . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 27' ' ' ILE . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.998 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.998 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.61 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.936 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.882 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.8 p . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.238 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.789 ' O ' HD13 ' A' ' 27' ' ' ILE . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 41' ' ' VAL . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 36' ' ' PHE . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 38' ' ' HIS . 33.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.05 -31.39 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 8' ' ' LEU . 6.5 m -64.6 158.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -173.53 100.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 31.85 40.14 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -162.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.6 p -64.26 -29.08 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 110.697 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD21 HG12 ' A' ' 3' ' ' VAL . 1.9 pp -63.52 -12.06 29.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.573 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -57.07 -26.84 61.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.864 0.364 . . . . 0.0 110.234 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.77 -28.02 57.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -76.92 -55.17 11.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.857 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -63.94 -52.38 60.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.684 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.49 -23.55 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.24 -56.49 5.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.253 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.26 -43.28 98.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.021 0.439 . . . . 0.0 110.073 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.1 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -33.62 74.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.551 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.1 tm-20 -66.11 -56.74 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.81 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m-85 -56.79 -33.77 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -70.87 -57.4 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -57.78 -48.65 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLU . 16.9 pt -59.96 -36.94 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.05 -64.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.447 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.869 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.96 -48.46 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.708 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.1 t -54.09 -53.09 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.3 p -56.18 -37.01 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.388 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 24' ' ' THR . 12.4 mt -65.51 -57.68 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.628 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -62.53 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 25' ' ' SER . 12.7 m -67.95 -40.22 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.63 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.1 t80 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -58.45 -49.48 76.24 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.535 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.51 -60.53 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.539 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.65 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -46.34 -33.83 4.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.32 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 31' ' ' PHE . . . -66.11 -77.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.118 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD2' HD23 ' A' ' 40' ' ' LEU . 19.4 t80 -58.09 -45.52 87.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.086 0.469 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . -50.72 -45.58 58.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.554 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' O ' HG22 ' A' ' 41' ' ' VAL . 29.1 m170 -70.72 -42.44 70.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.383 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.91 -19.67 61.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.222 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 41' ' ' VAL . 4.3 pp -95.08 -23.91 17.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.8 m -67.65 -21.7 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.032 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER 72.86 6.55 5.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.843 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 46' ' ' PRO . 7.4 tp -124.18 -37.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 0.0 111.409 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.1 t90 38.17 83.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.725 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 178.03 -51.16 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 43' ' ' ILE . 25.3 Cg_exo -63.08 -55.26 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.587 2.191 . . . . 0.0 112.191 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.675 ' HD1' HG23 ' A' ' 48' ' ' VAL . 4.4 t90 63.53 85.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.675 HG23 ' HD1' ' A' ' 47' ' ' TRP . 31.7 t 57.71 53.9 6.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.081 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 61.3 Cg_endo -73.22 -44.93 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -169.64 51.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.66 88.0 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.579 2.186 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -176.65 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.44 -171.91 5.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.32 31.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -96.74 129.07 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 21.5 t -152.03 -48.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 26.5 ttmt 89.36 44.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.802 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.55 -40.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.6 -47.71 81.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 8' ' ' LEU . 86.9 p -173.98 73.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 7' ' ' SER . 5.3 mp -166.81 -29.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -54.37 -30.49 52.02 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.025 0.441 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -22.08 79.13 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.647 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -81.32 -48.37 19.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.872 0.368 . . . . 0.0 110.593 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -49.32 74.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.69 -29.02 64.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.76 -61.21 6.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.106 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.47 -43.69 96.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.192 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.93 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.557 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -70.84 -30.28 66.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.853 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.7 tt0 -67.76 -63.47 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -58.67 -37.24 75.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.308 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -69.91 -48.25 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.343 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -66.39 -43.75 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.853 HG23 ' O ' ' A' ' 18' ' ' GLU . 22.0 pt -63.11 -44.24 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' N ' HG13 ' A' ' 22' ' ' ILE . 10.6 t80 -62.57 -58.26 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.916 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -53.3 -47.93 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.8 t -52.89 -49.56 65.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.664 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.0 p -57.07 -37.81 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 24' ' ' THR . 14.3 mt -66.76 -52.35 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.639 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -65.28 -41.28 94.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.559 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 33' ' ' VAL . 14.9 m -70.08 -43.1 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' VAL . 12.9 t80 -64.68 -33.66 76.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.346 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -15.14 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.963 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -82.24 -36.25 18.26 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 29' ' ' VAL . 34.4 m -75.96 -45.3 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 113.616 -1.292 . . . . 0.0 109.649 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.58 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.87 -40.51 96.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -58.6 6.8 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.55 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 40' ' ' LEU . 22.5 m-85 -64.31 -30.2 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.283 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -55.61 -49.7 72.1 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.308 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.937 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.6 m-70 -69.82 -36.25 75.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.579 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.41 -18.76 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.737 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 36' ' ' PHE . 5.0 mt -94.67 -19.7 20.2 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.561 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.5 p -66.47 -12.63 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.576 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.672 ' O ' HD13 ' A' ' 43' ' ' ILE . 1.3 t90 69.0 65.51 0.29 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.673 HG12 HG13 ' A' ' 41' ' ' VAL . 31.7 mm -145.15 -39.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.205 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 86.65 30.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG2' HG22 ' A' ' 43' ' ' ILE . 6.1 ptp85 -178.97 156.84 0.9 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.48 117.87 4.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.525 2.15 . . . . 0.0 112.221 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -53.17 -29.11 29.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.5 t -72.49 111.25 10.32 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.93 69.88 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.91 155.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.631 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -28.07 19.7 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.318 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -130.15 32.26 4.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 170.64 33.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -81.65 162.01 23.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.359 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 60.66 32.41 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 3' ' ' VAL . 7.2 m -97.47 89.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -173.63 46.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LYS . 9.8 pt20 30.43 47.48 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.65 -35.88 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 p -173.87 34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.55 -6.4 7.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.069 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -56.22 -23.5 36.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.921 0.391 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.32 -32.8 46.39 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.01 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 11' ' ' ILE . 2.8 mp -82.01 -48.03 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.368 . . . . 0.0 110.594 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -46.71 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -72.52 -31.32 65.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.04 -61.9 5.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.266 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.01 -42.07 98.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.421 . . . . 0.0 110.229 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.0 95.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.519 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -61.49 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 22' ' ' ILE . 5.5 tt0 -64.98 -59.31 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.9 t80 -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.252 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -73.08 -58.51 3.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 23' ' ' PHE . 2.2 pp -61.62 -42.91 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.696 ' N ' HD12 ' A' ' 22' ' ' ILE . 21.2 t80 -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.499 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.786 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -53.1 -39.61 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.893 ' O ' HG22 ' A' ' 29' ' ' VAL . 3.6 m -56.19 -72.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 t -49.65 -40.38 39.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.818 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.6 mp -64.07 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.082 0.468 . . . . 0.0 110.149 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 24' ' ' THR . 6.6 mp -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -59.51 -47.52 90.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.103 -178.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.7 t80 -60.57 -32.64 71.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 27' ' ' ILE . 4.8 m-85 -92.63 -14.95 27.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.76 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.5 -40.97 31.26 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.979 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -74.79 -59.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 113.657 -1.272 . . . . 0.0 109.571 177.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.594 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -44.65 -46.62 10.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -73.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.314 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.742 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.36 -53.36 30.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.608 -179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.44 -47.29 48.3 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.929 ' O ' HG12 ' A' ' 41' ' ' VAL . 10.7 t-80 -69.49 -44.28 71.45 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -17.35 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 110.808 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD13 ' O ' ' A' ' 36' ' ' PHE . 8.0 mp -87.88 -27.86 21.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.929 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.6 p -67.53 -25.54 33.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 0.0 110.0 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.5 pp -135.87 32.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.09 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.58 -165.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -133.73 60.41 46.12 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 0.0 111.488 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' CD ' ' HA ' ' A' ' 41' ' ' VAL . 52.2 Cg_endo -90.32 -164.15 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.141 2.56 . . . . 0.0 112.159 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CE3' HG13 ' A' ' 48' ' ' VAL . 23.1 t90 44.96 -90.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.641 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 48' ' ' VAL . 31.1 m -66.43 111.39 6.63 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.514 0.197 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.09 82.73 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.56 155.74 7.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.77 154.4 63.77 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.621 2.214 . . . . 0.0 112.246 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.43 76.6 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.89 19.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 60.74 80.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.977 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.888 0.375 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -70.67 74.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.3 t -117.9 85.1 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.013 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.99 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -173.03 105.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -47.0 37.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.223 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 10.2 t -67.84 -153.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.248 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 5' ' ' GLN . 24.9 mt 91.82 -21.18 0.1 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.323 0.649 . . . . 0.0 111.344 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -56.85 -32.9 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 109.863 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.97 -22.16 77.26 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.757 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 HD22 ' A' ' 8' ' ' LEU . 38.8 mt -77.48 -51.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.594 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 m -63.93 -50.85 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.45 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.9 -26.36 62.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.83 -59.77 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.336 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -63.18 -41.76 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.37 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.651 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -69.0 -50.23 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.3 tt0 -58.97 -58.31 9.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HD1' HD11 ' A' ' 22' ' ' ILE . 24.9 m-85 -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -73.82 -58.46 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.6 -44.1 97.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 18' ' ' GLU . 11.1 pt -65.51 -42.28 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.41 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' N ' HG13 ' A' ' 22' ' ' ILE . 70.2 t80 -60.7 -62.69 1.67 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.941 0.401 . . . . 0.0 109.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -56.82 -39.02 73.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.2 m -49.43 -64.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.186 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 24.8 p -56.93 -35.39 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.423 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 23.5 mm -65.02 -66.08 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -59.08 -40.06 84.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.85 -178.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 25' ' ' SER . 14.7 m -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.808 0.337 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' SER . 19.0 t80 -60.92 -71.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.843 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 1.9 m-85 -60.35 -31.48 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.025 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -56.76 -53.3 45.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.52 -61.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.89 -36.7 3.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.472 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.749 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -65.31 -77.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.64 -52.49 65.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.733 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.931 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -45.7 -60.45 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.521 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.4 m-70 -70.1 -18.54 63.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.6 mp -67.81 -27.85 67.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.749 0.309 . . . . 0.0 110.588 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -107.31 -56.27 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.013 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 37' ' ' ALA . 16.5 m -69.62 -9.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.888 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CD1' HD12 ' A' ' 43' ' ' ILE . 7.0 t90 51.68 64.85 1.68 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.991 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.9 mp 68.12 10.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.622 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.553 ' H ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 83.46 -71.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.517 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 7.7 mtt180 -55.45 -62.67 4.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.709 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 45' ' ' ARG . 72.5 Cg_exo -47.35 -43.08 27.26 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.362 2.042 . . . . 0.0 112.596 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' O ' ' O ' ' A' ' 48' ' ' VAL . 37.8 t-105 64.22 120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 47' ' ' TRP . 15.4 m 45.87 116.37 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.356 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HA ' ' CD2' ' A' ' 42' ' ' TRP . 17.7 Cg_endo -59.77 -79.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.405 2.07 . . . . 0.0 112.395 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.78 -57.06 0.48 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.614 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.44 -23.19 18.21 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.611 2.207 . . . . 0.0 112.555 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -50.13 -28.34 7.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.79 -123.16 3.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.453 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 58.29 36.04 25.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.847 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -108.94 -39.28 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 4' ' ' LYS . 11.1 p -178.39 -44.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' HG13 ' A' ' 3' ' ' VAL . 40.5 mtmt 31.42 40.75 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.098 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -79.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.29 -73.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.454 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -67.5 -158.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.614 178.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 7' ' ' SER . 0.3 OUTLIER 81.85 -44.62 0.17 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.476 0.31 . . . . 0.0 111.602 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -28.77 35.93 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.09 69.54 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.653 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' LEU . 34.4 mt -80.56 -57.84 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 m -63.56 -47.73 80.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.602 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -29.68 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.86 -62.14 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.157 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.7 -42.76 99.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.413 . . . . 0.0 110.205 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.33 90.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -63.57 -48.08 78.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.41 -42.67 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 t80 -60.04 -57.23 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.627 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -61.29 -32.56 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.342 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -71.75 0.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' ILE . 6.9 tp -54.35 -30.24 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -59.81 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.38 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 55.0 p -56.98 -30.44 64.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.089 0.471 . . . . 0.0 110.679 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.739 ' O ' HG22 ' A' ' 29' ' ' VAL . 6.3 m -54.57 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.267 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -38.39 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.98 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 23' ' ' PHE . 26.5 mm -65.02 -66.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 111.851 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 24' ' ' THR . 39.2 mt -57.91 -39.93 79.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.114 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 25' ' ' SER . 16.1 m -68.22 -38.55 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.582 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.71 -72.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.77 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -29.33 69.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 28' ' ' LEU . . . -58.24 -50.57 65.2 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.613 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 34' ' ' ALA . 1.2 t -69.86 -61.0 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -44.29 -37.76 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.019 0.438 . . . . 0.0 110.593 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.99 -77.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.234 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' LEU . 2.6 m-85 -58.03 -47.96 81.52 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.105 0.479 . . . . 0.0 110.952 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -49.95 -49.28 50.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.858 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 41' ' ' VAL . 60.0 m170 -67.42 -48.78 66.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.812 0.339 . . . . 0.0 110.646 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.25 -12.02 61.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.283 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PHE . 24.9 mt -93.85 -21.94 18.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.511 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 38' ' ' HIS . 7.9 p -65.77 -26.05 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.7 OUTLIER 60.95 22.85 13.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.849 ' H ' HG13 ' A' ' 41' ' ' VAL . 2.2 pt -156.33 18.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 32.28 38.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.626 ' HB2' HD12 ' A' ' 43' ' ' ILE . 56.4 mtt180 -152.91 47.77 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.725 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.641 ' HD3' HG11 ' A' ' 41' ' ' VAL . 84.9 Cg_endo -82.49 -43.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.458 2.105 . . . . 0.0 112.349 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' H ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -141.71 -80.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.311 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG12 ' HD3' ' A' ' 49' ' ' PRO . 8.1 p -94.17 -32.23 0.29 Allowed Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' HD3' HG12 ' A' ' 48' ' ' VAL . 68.1 Cg_exo -51.32 114.45 1.56 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.822 1.681 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.13 151.3 20.5 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 -38.35 7.14 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.549 2.166 . . . . 0.0 112.313 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.36 76.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.82 -71.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 62.89 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.856 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.93 -34.3 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 4' ' ' LYS . 26.4 t -93.97 -69.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER 30.23 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.928 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.809 ' HB2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER 90.5 122.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -132.34 -68.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.694 ' C ' HD23 ' A' ' 8' ' ' LEU . 8.7 t -68.06 63.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.6 -26.27 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.617 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -55.22 -29.29 57.69 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.92 -24.91 61.01 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.683 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.2 mt -75.47 -58.32 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-O 120.894 0.378 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -55.31 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.887 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.62 -29.12 70.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.196 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.93 -61.11 4.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.21 -42.86 99.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' HIS . . . -59.81 -36.44 76.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -70.57 -65.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 22' ' ' ILE . 42.2 tt0 -54.54 -50.07 68.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 13.2 t80 -59.12 -39.73 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.422 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 20.1 t-160 -62.87 -57.79 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 111.037 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -53.55 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -57.71 -40.37 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.573 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.679 ' N ' HD12 ' A' ' 22' ' ' ILE . 52.9 t80 -63.09 -68.73 0.32 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.93 -49.26 50.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.138 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 28' ' ' LEU . 45.6 t -52.23 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.96 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 19.5 t -58.19 -40.74 82.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.629 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' PHE . 25.6 mm -61.44 -45.02 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.862 0.363 . . . . 0.0 111.533 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 25' ' ' SER . 1.1 mt -67.21 -56.18 10.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.959 0.409 . . . . 0.0 111.931 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.77 ' O ' HG13 ' A' ' 33' ' ' VAL . 1.1 t -70.84 -54.57 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.527 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' HG12 ' A' ' 29' ' ' VAL . 3.2 t80 -62.39 -36.36 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 112.037 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -95.43 -15.04 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -80.01 -38.52 18.97 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 108.341 -1.903 . . . . 0.0 108.341 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 29' ' ' VAL . 33.5 m -74.62 -46.09 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 113.442 -1.379 . . . . 0.0 109.923 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.597 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -63.52 -41.39 98.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.166 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -61.3 -56.3 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.754 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.806 ' O ' HD13 ' A' ' 40' ' ' LEU . 9.1 m-85 -69.33 -27.35 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.681 178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -57.22 -59.31 5.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 70.6 m80 -70.49 -36.89 74.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 35' ' ' ALA . 9.1 mp -66.4 -15.21 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 36' ' ' PHE . 7.3 mp -97.73 -50.9 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.2 m -70.2 -30.77 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.439 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' HIS . 18.7 t90 -54.23 -26.92 31.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.032 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.5 tp -58.31 -31.13 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 7.4 m95 -170.18 -44.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -59.52 175.6 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 45' ' ' ARG . 36.1 Cg_exo -57.8 -157.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.736 2.29 . . . . 0.0 112.355 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -149.33 40.26 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG23 ' HD2' ' A' ' 49' ' ' PRO . 9.5 p -110.63 136.46 20.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 48' ' ' VAL . 58.5 Cg_endo -71.78 101.08 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.76 -175.22 43.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.65 -37.03 63.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.634 2.222 . . . . 0.0 112.258 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -175.31 -55.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 132.66 -107.27 0.69 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 54.7 p90 44.99 30.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.392 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.914 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 3' ' ' VAL . 1.9 mm-40 -133.74 -65.87 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 2' ' ' GLU . 5.4 m -159.19 -44.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.46 178.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 31.93 38.54 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.984 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -137.47 14.44 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.48 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.73 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -63.14 -12.43 27.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.793 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -57.85 -22.42 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.339 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.4 -36.59 38.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.955 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 8' ' ' LEU . 23.0 pt -79.54 -33.9 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-O 120.992 0.425 . . . . 0.0 110.435 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -57.64 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.535 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -70.66 -30.91 67.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.94 -51.9 21.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.212 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -63.34 -37.71 88.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.43 85.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.083 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -59.18 -51.8 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.368 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.6 mt-10 -56.5 -42.57 78.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.427 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.5 m-85 -57.7 -40.35 79.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -64.42 -56.38 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -57.44 -57.97 10.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' GLU . 13.9 pt -52.48 -35.52 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 27' ' ' ILE . 88.2 t80 -61.51 -59.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.888 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.34 -50.72 66.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.435 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 24' ' ' THR . 70.9 m -53.98 -45.74 71.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.605 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 11.9 p -57.45 -37.63 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.704 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 24' ' ' THR . 24.2 mt -64.88 -49.79 78.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.47 -50.81 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.264 0.554 . . . . 0.0 110.105 179.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.39 -30.22 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.662 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 26' ' ' SER . 1.1 m-85 -61.41 -72.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.46 -27.53 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.616 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.92 62.58 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.487 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -67.42 -49.15 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 C-N-CA 122.512 0.325 . . . . 0.0 110.204 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -55.84 -33.67 64.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.068 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.19 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.271 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.4 m-85 -58.39 -28.1 64.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.21 0.529 . . . . 0.0 109.989 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 33' ' ' VAL . . . -58.17 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.86 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.883 ' O ' HG12 ' A' ' 41' ' ' VAL . 4.2 m-70 -70.84 -36.02 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.537 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -27.74 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.7 pp -102.03 -3.4 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.264 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 38' ' ' HIS . 6.4 p -68.01 -29.53 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 1.8 t-105 -150.54 38.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 42' ' ' TRP . 2.0 tt 45.03 38.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.725 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' CZ3' ' CZ3' ' A' ' 47' ' ' TRP . 0.1 OUTLIER 84.46 103.84 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 3.3 mmm-85 -177.42 -66.15 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 29.9 Cg_endo -66.82 -75.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.231 1.954 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 2.1 p90 53.92 148.5 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.219 0.533 . . . . 0.0 111.8 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 48' ' ' VAL . 36.6 t -155.7 53.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 48' ' ' VAL . 87.8 Cg_endo -78.65 -43.17 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.563 2.175 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.48 -90.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.33 -47.25 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.561 2.174 . . . . 0.0 112.499 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -60.35 164.29 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . 129.69 -50.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 53' ' ' GLY . 53.5 p90 45.03 30.64 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.852 0.358 . . . . 0.0 111.329 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.51 -55.18 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 12.3 m -119.13 -43.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 8' ' ' LEU . 5.4 tttt 90.78 -45.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -171.96 30.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.185 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 7' ' ' SER . 12.4 mm-40 45.09 71.17 0.28 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.2 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 37.3 t 85.42 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.679 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 4' ' ' LYS . 2.0 mt -63.1 -13.0 31.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.433 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -22.62 58.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.449 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.02 -31.58 47.56 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.627 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -86.25 -40.88 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.083 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.522 ' N ' HD13 ' A' ' 11' ' ' ILE . 80.0 m -65.53 -55.05 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.45 -28.75 61.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.53 -59.22 5.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.206 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.72 -42.92 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.367 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' HIS . . . -59.1 -38.4 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -68.76 -48.34 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 22' ' ' ILE . 54.4 mt-10 -59.94 -58.41 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 1.3 t80 -58.41 -30.07 66.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.283 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 8.3 m170 -69.97 -63.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.151 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -47.18 85.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.446 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.692 HG23 ' O ' ' A' ' 18' ' ' GLU . 2.0 pp -60.35 -41.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.809 0.338 . . . . 0.0 111.433 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.688 ' N ' HD12 ' A' ' 22' ' ' ILE . 35.4 t80 -63.23 -68.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.684 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -51.35 -46.52 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.041 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 29' ' ' VAL . 35.3 t -53.27 -67.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 47.8 p -46.78 -44.86 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.858 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 23' ' ' PHE . 45.1 mm -63.27 -41.14 91.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.402 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' GLY . 3.6 mp -64.93 -61.55 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.562 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -65.89 -51.13 64.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.743 -178.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 26' ' ' SER . 6.0 t80 -62.54 -35.65 80.1 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.027 0.441 . . . . 0.0 111.882 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 27' ' ' ILE . 2.0 t80 -95.52 -16.73 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.11 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -78.61 -35.9 31.08 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.837 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 32.7 m -77.69 -55.01 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 113.69 -1.255 . . . . 0.0 109.407 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -48.62 -43.57 36.42 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -63.24 -72.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.159 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.15 -53.61 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.358 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -48.06 -59.7 3.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.638 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 3.9 m-70 -62.71 -31.15 72.01 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.104 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.702 HD23 ' CG ' ' A' ' 44' ' ' TRP . 6.0 mt -66.83 -15.62 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.5 pp -127.96 13.4 6.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.44 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.043 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -165.34 32.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 23.6 t90 -129.46 -86.63 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.173 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 tp -160.41 21.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.604 0.24 . . . . 0.0 111.64 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.702 ' CG ' HD23 ' A' ' 39' ' ' LEU . 44.2 t-105 -72.1 -53.16 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 177.83 -51.67 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 28.5 Cg_exo -61.45 -66.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.529 2.153 . . . . 0.0 112.367 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.459 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 62.85 144.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.57 -179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.708 ' HB ' HG23 ' A' ' 41' ' ' VAL . 9.6 p -71.18 -33.19 2.65 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HD3' HG12 ' A' ' 48' ' ' VAL . 83.9 Cg_endo -81.87 82.48 2.32 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.924 1.75 . . . . 0.0 112.456 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 148.56 11.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.26 -62.14 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.255 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -96.29 -178.35 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.08 -33.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -81.66 169.14 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.929 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 8' ' ' LEU . 7.9 tt0 -177.04 -39.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -101.24 -171.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.6 tttm 90.48 -55.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.631 ' O ' HD11 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -66.22 -27.9 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' SER . 1.4 mm-40 69.06 93.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.5 p 94.21 -26.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 2' ' ' GLU . 8.5 mp 30.36 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' SER . 36.9 t -53.63 -31.18 46.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.51 -23.2 65.56 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD11 ' O ' ' A' ' 5' ' ' GLN . 20.0 mt -74.22 -59.51 3.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 110.519 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -63.38 -50.79 68.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.92 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.49 -62.66 4.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.169 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.65 -43.91 97.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.15 83.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.541 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -66.57 -34.54 78.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.584 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.83 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.0 tt0 -66.13 -65.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.774 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.3 t80 -57.87 -31.08 66.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.38 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -72.38 -55.3 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.221 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.263 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 18' ' ' GLU . 15.6 pt -63.91 -46.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.191 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' N ' HG13 ' A' ' 22' ' ' ILE . 11.3 t80 -62.6 -60.38 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -54.19 -38.82 66.04 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.5 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 29' ' ' VAL . 4.1 m -56.46 -57.08 13.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -56.85 -47.57 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.218 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 27' ' ' ILE . 3.7 tp -63.46 -46.9 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.439 . . . . 0.0 111.225 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.8 mp -61.82 -58.43 8.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.102 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.998 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.6 m -58.15 -45.68 88.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.966 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 38.1 t80 -61.74 -32.78 73.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.369 0.604 . . . . 0.0 110.109 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 11.9 m-85 -91.86 -14.32 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.742 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -76.89 -41.06 24.13 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.393 -1.883 . . . . 0.0 108.393 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.998 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -73.59 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 113.77 -1.215 . . . . 0.0 109.174 177.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.61 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.89 -51.46 7.52 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 31' ' ' PHE . . . -64.99 -71.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.547 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.936 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.05 -54.77 28.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.713 -179.344 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -48.95 -46.79 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.882 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.7 m-70 -67.7 -45.77 74.18 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.541 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.46 -13.47 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 36' ' ' PHE . 36.6 mt -95.04 -17.13 22.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.266 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.8 p -63.95 -27.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 111.029 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.762 ' O ' HG23 ' A' ' 43' ' ' ILE . 18.0 t-105 -153.41 -76.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.716 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 42' ' ' TRP . 1.3 pp -171.49 31.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.198 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER 82.2 16.48 0.41 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.401 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.6 tmm_? -78.61 -59.93 0.64 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 32.5 Cg_endo -64.45 -85.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.141 1.894 . . . . 0.0 112.441 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.761 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 56.11 22.07 5.67 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.62 0.248 . . . . 0.0 111.372 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -179.11 162.53 1.0 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.46 2.71 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.511 2.141 . . . . 0.0 112.268 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.63 78.89 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 58.0 Cg_endo -71.55 -45.6 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.617 2.211 . . . . 0.0 112.419 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -65.26 -37.03 85.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.17 -71.81 0.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 3.0 p90 -158.39 -51.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.865 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.96 178.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 11.1 p -171.69 145.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 15.2 tttp 89.64 17.16 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.256 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.749 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -173.34 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.817 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 69.71 -62.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.464 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.35 -26.73 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.275 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER 15.63 -81.53 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' SER . 24.4 t 21.37 -86.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . . . -65.48 -26.03 71.66 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' LEU . 29.9 mm -84.98 -37.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.82 -54.63 32.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.378 179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -63.69 4.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.243 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.62 -41.98 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.74 77.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.708 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -69.01 -46.13 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.48 -45.62 92.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.5 -58.58 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.83 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.251 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.615 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.3 tp -53.77 -24.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.4 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.789 ' O ' HD13 ' A' ' 27' ' ' ILE . 60.3 t80 -61.54 -65.7 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 p -60.02 -37.56 80.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -50.48 -73.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.366 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 p -57.02 -29.59 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.446 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 23' ' ' PHE . 1.3 mp -64.73 -64.78 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.636 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' N ' HG22 ' A' ' 27' ' ' ILE . 1.2 pp -58.81 -34.24 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.644 0.259 . . . . 0.0 111.049 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.01 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -68.43 -43.37 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 C-N-CA 122.493 0.317 . . . . 0.0 110.2 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' VAL . 12.8 t80 -62.01 -34.73 76.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 110.27 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.65 -14.77 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.627 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -75.45 -40.53 32.65 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.01 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -74.94 -60.16 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 113.659 -1.27 . . . . 0.0 109.427 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' H ' HG23 ' A' ' 33' ' ' VAL . . . -43.87 -45.15 7.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.83 -72.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.168 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.4 m-85 -64.74 -55.09 22.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.367 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 33' ' ' VAL . . . -46.12 -47.73 17.34 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.735 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 41' ' ' VAL . 65.3 m170 -70.62 -33.41 70.98 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.721 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.62 -28.76 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.746 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 36' ' ' PHE . 9.6 mp -80.73 -45.23 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 38' ' ' HIS . 33.5 m -68.24 -29.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -63.66 -27.3 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 43' ' ' ILE . 2.7 pp -122.11 31.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.044 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' CD1' ' HA3' ' A' ' 50' ' ' GLY . 13.7 t-105 -169.74 49.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.755 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mmm-85 62.84 146.77 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.771 ' O ' HG22 ' A' ' 48' ' ' VAL . 10.4 Cg_exo -71.2 151.69 61.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.9 t90 56.41 34.24 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.275 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -167.88 81.88 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.089 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.69 -57.46 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.608 2.205 . . . . 0.0 112.241 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 44' ' ' TRP . . . 75.45 61.58 2.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.32 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.67 2.246 . . . . 0.0 112.266 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -132.94 -49.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.69 77.38 1.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -158.33 31.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.932 180.0 . . . . . . . . 0 0 . 1 stop_ save_