data_2an7_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 2an7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.455 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.455 ' HE1' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.71 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE1' ' OE1' ' A' ' 23' ' ' GLN . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 19.7 mt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.453 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.434 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.1 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.542 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.542 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.028 0.442 . . . . 0.0 111.698 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG22 ' B' ' 105' ' ' THR . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.461 ' CG2' ' HE2' ' A' ' 8' ' ' MET . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.461 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 23.6 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.425 ' CE3' HD11 ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD11 ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.452 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.452 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.537 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' B' ' 131' ' ' ALA . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 83.1 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 7.6 t-160 -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' B' ' 135' ' ' LEU . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 53.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CE3' HD21 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD21 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.965 0.412 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.407 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.475 HD13 ' HG ' ' B' ' 104' ' ' LEU . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.43 HG22 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.43 ' HB2' HG22 ' B' ' 109' ' ' THR . 0.4 OUTLIER -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.724 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' B' ' 117' ' ' LYS . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' B' ' 127' ' ' ILE . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 31' ' ' ALA . 22.5 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 106' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.453 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.473 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 2.2 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB2' ' HB3' ' B' ' 102' ' ' SER . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.617 HG13 ' HB3' ' A' ' 31' ' ' ALA . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.612 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB3' HG13 ' A' ' 27' ' ' ILE . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' CD2' HD22 ' B' ' 135' ' ' LEU . 18.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 28' ' ' LYS . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.405 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.566 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.566 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 11.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.65 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.621 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.621 ' HB3' HG13 ' A' ' 27' ' ' ILE . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 4.2 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.918 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.452 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.417 ' CG2' ' HE2' ' B' ' 108' ' ' MET . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.417 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.749 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 110' ' ' ASP . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 130' ' ' TYR . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.749 ' HD3' ' CD2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.607 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.607 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 6.0 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' CG2' ' CE ' ' A' ' 8' ' ' MET . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' CE ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.422 ' CB ' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.465 HG21 ' HG2' ' A' ' 17' ' ' LYS . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' B' ' 105' ' ' THR . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' B' ' 135' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.541 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.454 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.5 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' B' ' 130' ' ' TYR . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.472 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 19.4 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 HG13 ' HA ' ' B' ' 128' ' ' LYS . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.679 HG13 ' HB1' ' A' ' 31' ' ' ALA . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB1' HG13 ' A' ' 27' ' ' ILE . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.58 ' CD1' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.426 ' CD2' ' CD1' ' B' ' 135' ' ' LEU . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.414 ' CG2' ' HD3' ' A' ' 3' ' ' ARG . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.484 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.408 ' CB ' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' B' ' 130' ' ' TYR . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' B' ' 131' ' ' ALA . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 10.4 mt . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.031 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 103' ' ' ARG . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 134' ' ' ARG . 3.9 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.58 ' CD1' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.419 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.553 HD21 ' CG1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.584 HG12 ' HB1' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.584 ' HB1' HG12 ' B' ' 127' ' ' ILE . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.543 HD22 ' O ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.472 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.472 ' SD ' ' CG2' ' A' ' 6' ' ' ILE . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.686 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.3 t-160 -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' N ' ' HB3' ' A' ' 20' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 25.3 mt . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.459 0.015 0 CA-C-O 121.015 0.436 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.457 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 23.0 t-160 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.484 ' HB ' ' HA ' ' B' ' 117' ' ' LYS . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.405 ' CD1' ' NE2' ' B' ' 123' ' ' GLN . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 31' ' ' ALA . 10.5 mt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.869 0.366 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.41 ' CE ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB3' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' N ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' B' ' 105' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.711 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 ' HG ' ' B' ' 135' ' ' LEU . 40.9 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.403 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.404 ' CG2' ' CE ' ' B' ' 108' ' ' MET . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.404 ' CE ' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.692 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 4.5 t-160 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.692 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.51 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.579 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.579 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.439 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.765 ' HG ' HD22 ' A' ' 35' ' ' LEU . 11.7 mt . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.624 ' HB2' ' HD1' ' B' ' 113' ' ' HIS . 11.6 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.45 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.45 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 11.7 t-160 -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.567 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.493 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.567 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' CD2' ' HG ' ' B' ' 135' ' ' LEU . 10.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 8' ' ' MET . 44.2 p . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.404 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.498 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 0.9 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.624 ' HD1' ' HB2' ' A' ' 2' ' ' SER . 15.7 t-160 -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.577 HD11 ' H ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.577 ' H ' HD11 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.57 HG12 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.57 ' CB ' HG12 ' B' ' 127' ' ' ILE . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 35' ' ' LEU . 5.7 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 8' ' ' MET . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.678 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.625 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CD2' HD13 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.625 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.475 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.475 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.425 ' HB2' ' CG2' ' B' ' 109' ' ' THR . 12.5 mm100 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.69 ' CD2' ' HE3' ' B' ' 117' ' ' LYS . 10.1 t-80 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.972 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.511 ' HB3' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.645 ' CG1' ' HD2' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.52 ' CB ' HD13 ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 4.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.443 ' SD ' ' CG2' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.762 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 8.5 t-80 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.017 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.777 HG13 ' HB1' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB1' HG13 ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD13 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD13 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.652 0.263 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.421 ' CD2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 26.1 mm100 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.707 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' B' ' 117' ' ' LYS . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.707 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' THR . . . . . 0.405 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.583 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.405 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 35.4 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.422 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.3 OUTLIER -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.3 t-160 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' HD22 ' A' ' 19' ' ' LEU . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.437 ' CE1' HD12 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' B' ' 135' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.789 HG12 ' HB1' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.789 ' HB1' HG12 ' B' ' 127' ' ' ILE . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.921 0.391 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.418 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB3' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.75 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.85 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.569 ' CD2' ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.85 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' O ' ' CD2' ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' B' ' 134' ' ' ARG . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.436 ' CG2' ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.436 ' CB ' ' CG2' ' B' ' 109' ' ' THR . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.1 t-160 -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.519 HG13 ' CB ' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 35' ' ' LEU . 27.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' B' ' 108' ' ' MET . 3.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.454 HG13 ' HA ' ' B' ' 128' ' ' LYS . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.45 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.408 HG21 ' CG ' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.498 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' B' ' 134' ' ' ARG . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 17.3 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.444 HG23 HD13 ' B' ' 106' ' ' ILE . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' SER . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.419 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 18.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.149 0 CA-C-O 120.976 0.417 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.479 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.479 ' HE1' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 13.4 t-160 -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' HB3' ' B' ' 135' ' ' LEU . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 14.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.486 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.578 HG13 ' HA ' ' A' ' 28' ' ' LYS . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' SER . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.604 ' HG ' ' HE2' ' B' ' 130' ' ' TYR . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.547 ' CD2' ' HA ' ' B' ' 116' ' ' LEU . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.604 ' HE2' ' HG ' ' B' ' 116' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' B' ' 127' ' ' ILE . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.456 ' HB3' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.475 HG22 ' HD2' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 HG22 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' HB3' HD23 ' B' ' 116' ' ' LEU . 42.3 mt . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.417 ' CE2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.475 ' HD2' HG22 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.436 ' N ' HG22 ' B' ' 106' ' ' ILE . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 35' ' ' LEU . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.531 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.416 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 34' ' ' ARG . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 33.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HD3' ' B' ' 128' ' ' LYS . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.987 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.637 ' CG1' ' HD2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' B' ' 106' ' ' ILE . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HB3' ' HG ' ' B' ' 116' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.743 0.306 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.435 HD21 ' HE3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.446 ' CG2' ' HE2' ' B' ' 108' ' ' MET . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.455 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.536 HG13 ' HB1' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.462 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 13.8 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.401 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.435 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.45 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.817 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' B' ' 131' ' ' ALA . 39.7 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 111.726 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.419 ' CG2' ' HE3' ' B' ' 108' ' ' MET . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.419 ' HE3' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . 0.401 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.613 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 35' ' ' LEU . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.556 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.424 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.556 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 14.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.996 0.427 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.405 HG21 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 104' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' HB2' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CB ' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.544 ' N ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CE2' HD11 ' A' ' 16' ' ' LEU . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 11.2 mt . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.504 HD13 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.628 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.47 ' HB3' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.526 HG13 ' CB ' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.526 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.511 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.524 -0.023 0 CA-C-O 120.837 0.351 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.477 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.441 ' CG2' ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' HB ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' N ' HD12 ' B' ' 106' ' ' ILE . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 83.3 mt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.556 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.404 ' HE3' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.629 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.6 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.6 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 8.2 mt . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.567 ' HB2' ' N ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.614 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' HB1' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HG ' ' HE2' ' B' ' 108' ' ' MET . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' B' ' 134' ' ' ARG . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 4.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.567 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.436 ' CG2' ' HG ' ' A' ' 32' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.436 ' HE2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.728 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.504 HD21 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . 0.452 ' HG ' ' SD ' ' A' ' 8' ' ' MET . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 14.7 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.56 ' HB2' ' HD1' ' B' ' 113' ' ' HIS . 67.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.955 0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' CD ' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' CD1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.883 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 t-160 -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.883 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' N ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 7.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 108' ' ' MET . . . . . 0.539 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 109' ' ' THR . . . . . 0.45 HG23 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.539 ' NE2' ' HB3' ' B' ' 108' ' ' MET . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 113' ' ' HIS . . . . . 0.823 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 14.3 t-160 -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.603 ' CD2' HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . 0.823 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 121' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' B' ' 116' ' ' LEU . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.447 ' CG ' ' HA ' ' B' ' 120' ' ' ALA . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 16' ' ' LEU . 14.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.713 0.292 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.67 74.54 5.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.455 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HE1' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.2 OUTLIER -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' HB2' ' CZ ' ' B' ' 136' ' ' PHE . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.71 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE1' ' OE1' ' A' ' 23' ' ' GLN . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' CB ' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.55 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 19.7 mt -78.36 -21.07 50.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 26.1 m-85 -121.73 47.96 1.49 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.224 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 89.4 Cg_endo -89.14 134.17 2.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.39 2.06 . . . . 0.0 112.253 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.51 88.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.734 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.5 149.13 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -44.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -126.36 102.92 7.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mt -110.25 -24.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 62.89 120.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.14 -18.39 60.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.68 -68.98 1.23 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.59 170.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.05 -43.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 -28.3 55.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt 64.49 131.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -148.31 35.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.6 m 62.28 121.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -176.04 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -37.26 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.2 0.58 3.29 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.644 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.59 134.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.89 125.9 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -146.03 162.32 38.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mm -109.56 109.44 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.42 178.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 49.8 67.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.39 121.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.03 108.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.21 172.59 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -178.51 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.51 -128.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.7 t0 66.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.759 0.314 . . . . 0.0 110.741 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -18.53 19.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.101 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.6 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -77.59 82.29 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.453 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.434 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.1 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.542 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.542 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.475 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' B' ' 136' ' ' PHE . 15.5 mt -77.69 -24.51 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.509 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 3.8 m-85 -129.23 54.13 13.48 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.326 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 88.4 Cg_endo -88.83 104.38 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.637 2.225 . . . . 0.0 112.502 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.47 -150.83 19.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.586 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.48 105.0 13.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.319 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.08 -1.04 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.723 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.32 -49.08 65.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.96 70.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.7 22.51 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.07 -54.77 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.99 83.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -69.65 -19.55 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -27.36 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -120.96 -25.76 5.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.86 -30.3 70.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.901 0.382 . . . . 0.0 110.46 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 -27.28 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.564 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.75 95.05 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.3 ttp -94.83 121.32 36.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 -31.13 39.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.13 -147.89 18.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.07 31.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.92 175.73 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 5.3 pt -96.1 174.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -60.53 165.93 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -160.45 63.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.47 -54.04 0.68 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.3 tp 55.19 108.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.879 0.371 . . . . 0.0 111.389 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -166.77 53.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.51 1.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -159.29 124.4 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.21 124.09 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.1 m -70.48 98.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.47 128.82 38.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.69 21.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 18.1 m -86.51 -72.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.3 146.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.616 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 121.11 -34.04 4.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.532 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.14 88.79 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . 0.414 HG23 HD11 ' B' ' 173' ' ' ILE . 25.1 mm -119.85 149.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.09 173.01 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.1 136.75 58.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.81 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -155.39 178.5 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.11 -36.75 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.7 p -141.33 104.03 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 159.8 -112.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.6 t0 68.37 -68.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.593 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -125.28 22.9 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.644 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.224 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.755 0.312 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER 42.53 45.6 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.698 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG22 ' B' ' 105' ' ' THR . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.461 ' CG2' ' HE2' ' A' ' 8' ' ' MET . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.461 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.1 OUTLIER -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 23.6 mt -77.17 -22.97 51.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.23 61.6 58.03 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.05 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 88.1 Cg_endo -85.68 -47.21 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.682 2.254 . . . . 0.0 112.721 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.38 95.28 0.07 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.65 108.1 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.425 ' CE3' HD11 ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD11 ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.48 -174.75 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -121.23 166.5 13.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 58' ' ' ASN . 9.7 tp -88.85 154.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 57' ' ' ILE . 4.6 t30 -155.54 131.9 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.81 157.47 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.7 64.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.15 117.91 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.72 -48.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.46 26.81 19.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.599 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? 65.48 -73.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.0 t -141.11 -96.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -165.24 51.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.07 -168.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -79.54 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 -163.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t 56.55 72.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.62 -168.0 0.91 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.818 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -136.32 121.64 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mm 61.95 115.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.62 145.32 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -11.97 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.445 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.2 -169.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.27 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.46 149.55 21.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 t -169.68 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 31.47 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.31 80.57 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.784 0.326 . . . . 0.0 110.718 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 61.59 22.16 12.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.24 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.21 80.56 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.452 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.452 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.537 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' B' ' 131' ' ' ALA . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 83.1 mt -77.22 -19.99 55.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.496 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 3.6 m-85 -133.15 55.33 16.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 89.7 Cg_endo -89.07 -49.4 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.715 2.277 . . . . 0.0 112.719 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.25 112.25 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.201 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.09 160.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.45 78.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -61.22 -38.81 87.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.77 -30.58 69.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.8 -27.08 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -108.29 -37.05 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.65 -58.56 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -67.9 -15.02 63.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 28.45 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.66 -41.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.71 -29.97 69.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -102.71 -2.75 27.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 52.2 m -68.96 -30.59 69.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -66.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -116.47 155.31 16.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.54 148.94 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.26 174.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.39 159.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -58.59 87.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.6 107.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -102.27 83.38 0.46 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.54 -41.16 96.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.84 42.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.69 83.3 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.412 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -60.86 177.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.345 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.79 138.57 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 43.3 t -58.19 88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 19.2 m -60.89 -58.64 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 6.3 tptp 61.07 85.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 2.5 p -176.41 177.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' B' ' 171' ' ' GLY . 54.7 t 59.17 156.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . 0.401 ' N ' ' CG1' ' B' ' 170' ' ' VAL . . . 122.39 165.69 12.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 111.25 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 12.6 mm -136.98 162.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.3 mp -115.77 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 127.5 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -175.82 107.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.81 100.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.9 mp 66.58 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.251 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 21.0 p -77.08 119.79 21.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.34 35.85 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.677 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -49.54 62.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.951 0.405 . . . . 0.0 110.497 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 15.93 13.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.85 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.258 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.802 0.335 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.5 OUTLIER -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 7.6 t-160 -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' HB3' ' CE2' ' B' ' 136' ' ' PHE . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' B' ' 135' ' ' LEU . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' C ' ' HD3' ' A' ' 37' ' ' PRO . 53.4 mt -77.88 -19.76 54.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CZ ' ' CD2' ' B' ' 116' ' ' LEU . 72.2 m-85 -119.39 48.74 1.14 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.673 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 97.3 Cg_endo -85.65 -46.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.241 1.961 . . . . 0.0 112.633 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.26 -157.24 27.23 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.26 154.61 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CE3' HD21 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD21 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 40.6 m-20 -106.3 -178.0 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 41.04 -165.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.823 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -159.68 69.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -76.56 151.4 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.85 164.08 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -114.69 -14.99 8.32 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.682 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -71.16 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 111.586 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -177.12 37.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 0.0 111.236 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.03 -40.25 2.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.633 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 67.55 -69.46 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.2 154.11 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 t -138.42 78.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -18.79 12.85 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 118.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 p -158.96 -57.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t 60.33 155.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.99 104.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.716 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -166.63 140.77 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.053 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -159.61 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -136.67 153.91 50.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.98 170.91 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 59.4 101.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.51 42.9 1.1 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 mt -60.07 -30.36 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 143.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.37 -51.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.41 -36.43 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.963 0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.92 -11.78 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.906 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.078 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.01 73.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.407 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.475 HD13 ' HG ' ' B' ' 104' ' ' LEU . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.43 HG22 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.445 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.724 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.548 ' CD2' ' CZ ' ' A' ' 36' ' ' PHE . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' B' ' 127' ' ' ILE . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 31' ' ' ALA . 22.5 mt -77.26 -19.87 55.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 16' ' ' LEU . 1.9 m-85 -132.79 58.06 33.0 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.1 Cg_endo -93.18 111.38 0.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.817 2.344 . . . . 0.0 113.003 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . 0.446 ' HA3' ' CZ2' ' B' ' 146' ' ' TRP . . . 91.05 109.43 1.52 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.438 ' O ' ' HB1' ' B' ' 145' ' ' ALA . 11.9 t0 -160.25 170.8 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . 0.506 ' C ' ' HA ' ' B' ' 144' ' ' GLN . . . -102.29 41.08 1.26 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.469 1.128 . . . . 0.0 109.977 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 143' ' ' ASP . 1.1 m-20 -119.7 -52.37 2.23 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 102.155 -3.276 . . . . 0.0 102.155 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.654 ' O ' ' CB ' ' B' ' 145' ' ' ALA . . . -62.07 80.78 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.246 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . 0.67 ' O ' ' C ' ' B' ' 144' ' ' GLN . 3.0 t70 62.15 43.24 8.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.146 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . 0.67 ' C ' ' O ' ' B' ' 143' ' ' ASP . 0.1 OUTLIER 38.63 33.92 0.08 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' B' ' 142' ' ' ALA . . . -40.83 -52.9 2.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.911 -176.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.446 ' CZ2' ' HA3' ' B' ' 138' ' ' GLY . 18.3 m0 -87.87 13.35 10.97 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 112.907 -1.951 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' B' ' 144' ' ' GLN . 0.0 OUTLIER -106.72 -19.9 13.51 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.696 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . 0.817 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 4.7 tt0 -112.06 -7.64 14.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.694 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.96 -35.32 72.12 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.624 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' B' ' 151' ' ' THR . 0.1 OUTLIER -90.32 46.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 4.4 m 68.02 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.43 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' MET . . . . . 0.817 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 0.0 OUTLIER -168.38 100.65 0.43 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.232 -178.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -175.61 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.88 30.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.561 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -113.0 -48.3 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.51 102.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.41 HG22 HD12 ' B' ' 157' ' ' ILE . 25.8 mm -128.61 127.7 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.73 112.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -67.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 66.88 38.7 93.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 37.4 mt -110.84 26.86 10.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . 62.43 93.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 119.87 -25.26 7.62 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 67.33 162.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 4.1 m 42.13 92.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.863 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 12.6 t -119.13 -44.69 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -177.07 49.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 40.62 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 78.7 p -175.34 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' B' ' 170' ' ' VAL . 12.4 p -54.46 99.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.7 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 58.98 -155.44 26.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.594 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.73 -168.3 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.1 mm -98.16 159.34 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' B' ' 174' ' ' LEU . 2.7 mm? -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.56 133.3 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 62.25 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.199 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.81 110.47 0.81 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.971 0.415 . . . . 0.0 111.091 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.88 136.06 33.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.47 153.04 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 182' ' ' ARG . . . -87.11 -114.61 1.0 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.29 -76.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' B' ' 180' ' ' GLY . 2.3 tpm_? -103.0 37.28 2.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.254 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.787 0.327 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 91.06 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 106' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.453 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.473 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' NE2' ' CZ ' ' B' ' 136' ' ' PHE . 2.2 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB2' ' HB3' ' B' ' 102' ' ' SER . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.617 HG13 ' HB3' ' A' ' 31' ' ' ALA . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.612 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB3' HG13 ' A' ' 27' ' ' ILE . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' CD2' HD22 ' B' ' 135' ' ' LEU . 18.5 mt -77.67 -22.65 50.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 7.8 m-85 -129.57 52.38 9.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 97.6 Cg_endo -90.05 139.21 3.05 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.538 2.159 . . . . 0.0 112.327 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.6 -77.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.66 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.56 156.05 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -132.66 60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -159.26 -172.89 3.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 tt -56.97 154.78 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -176.31 146.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 75.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.87 66.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.551 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 44.85 -165.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 111.36 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.37 -75.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' VAL . . . -138.42 19.87 3.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.405 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? 60.28 -80.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 63' ' ' GLY . 7.8 m -107.46 171.56 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.834 0.35 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m 59.26 69.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -62.77 -38.81 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 108.32 19.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -149.09 -167.28 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t 47.33 93.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.29 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.76 165.65 10.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.52 94.39 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.7 mm 62.96 86.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 mp -67.39 156.16 37.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.94 139.64 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.4 168.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.8 110.66 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.16 -65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 58.13 32.87 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.04 -103.35 0.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.06 -71.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.374 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -120.27 20.51 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.219 -179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -86.61 54.62 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.506 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 28' ' ' LYS . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.402 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.405 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.566 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.566 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 11.8 mt -73.09 -25.29 60.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.478 ' CZ ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -132.84 66.31 76.09 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.442 ' HD3' ' HG2' ' A' ' 34' ' ' ARG . 39.4 Cg_exo -59.31 -63.9 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.084 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.81 176.19 29.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.35 160.08 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.74 66.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.07 -33.93 65.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.52 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -27.69 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -56.43 -41.0 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.65 75.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -89.18 8.53 29.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.35 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -10.82 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.66 -32.47 71.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.067 0.461 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -15.46 13.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.563 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.5 m -120.72 48.47 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.4 ttt -83.18 168.65 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.87 161.57 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -159.84 -52.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.591 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.73 -173.56 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -37.85 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.1 150.55 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -61.1 151.19 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -126.33 77.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.664 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 138.78 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.73 53.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 58.31 88.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.598 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 2.8 mmpt? -62.84 -44.07 97.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.051 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 15.7 t 59.35 26.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -59.81 -179.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.27 117.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 -41.23 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.38 159.1 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 108.52 59.86 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 -68.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.35 150.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.92 -62.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.88 124.05 19.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 58.48 72.36 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.39 65.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.82 149.53 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.85 30.51 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -168.91 -105.16 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 66.66 -70.48 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.29 14.32 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.027 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.2 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.8 0.334 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER -77.51 84.63 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.65 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.621 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.621 ' HB3' HG13 ' A' ' 27' ' ' ILE . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 4.2 mt -77.54 -19.83 55.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' B' ' 112' ' ' GLN . 9.6 m-85 -131.43 57.34 30.3 Favored Pre-proline 0 N--CA 1.454 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.172 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 90.0 Cg_endo -90.19 43.26 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.686 2.257 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 154.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.631 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.04 153.38 46.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -152.29 -45.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.99 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.034 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mt 58.83 75.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.05 118.03 34.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.47 119.32 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.87 -80.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.571 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 tp 51.22 67.42 0.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.863 0.363 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.1 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.91 27.94 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 56.44 83.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 t 60.91 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -111.91 139.86 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 t -177.57 135.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 132.81 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.082 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 58.68 169.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.2 t -153.92 144.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.19 -148.82 19.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -112.53 28.0 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.423 HG21 HD12 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -130.68 115.2 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.71 163.67 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.47 -35.89 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.59 143.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.43 111.66 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.76 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.72 119.55 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.31 145.68 6.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -40.13 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 110.756 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -108.73 -19.49 13.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.905 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.071 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -103.18 85.06 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.452 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.417 ' CG2' ' HE2' ' B' ' 108' ' ' MET . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.417 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.749 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 110' ' ' ASP . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 130' ' ' TYR . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.749 ' HD3' ' CD2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.607 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.607 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' B' ' 136' ' ' PHE . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 6.0 mt -77.01 -19.97 56.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -132.97 61.86 58.66 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 7.2 Cg_exo -72.62 -160.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.549 2.166 . . . . 0.0 112.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.56 158.4 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.734 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.12 106.78 3.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.752 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -84.21 6.37 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.33 -32.23 66.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.59 70.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -56.9 -29.42 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -100.03 -54.57 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.1 -71.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.034 0.445 . . . . 0.0 111.548 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -48.74 65.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.478 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.12 -22.44 39.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -95.64 -8.49 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.292 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -29.98 69.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -24.77 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 89.1 m -61.4 -31.86 71.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.8 ttt -125.12 112.85 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 29.7 mt -110.39 175.61 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -137.1 -123.62 2.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -120.7 -52.44 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -107.16 148.83 28.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.93 138.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 84.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.19 127.31 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -168.71 39.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.23 78.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.25 75.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 60.33 -102.09 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.298 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -156.74 -48.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.769 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 165' ' ' VAL . 3.0 p 42.28 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.615 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.8 p -121.51 66.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.1 p -61.45 -70.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -179.55 4.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 15.5 m -100.76 145.11 28.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.86 144.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.66 113.91 0.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.624 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.64 176.26 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm 63.99 95.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.12 164.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.89 150.05 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.74 -68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.87 -169.39 0.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.93 168.42 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 75.2 m -150.07 130.68 13.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.36 -39.86 2.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.565 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -34.95 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.356 . . . . 0.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -17.53 13.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.99 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.09 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER -99.3 24.72 7.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' CG2' ' CE ' ' A' ' 8' ' ' MET . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' CE ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' NE2' ' CG ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' CB ' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.465 HG21 ' HG2' ' A' ' 17' ' ' LYS . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' B' ' 105' ' ' THR . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.403 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' B' ' 135' ' ' LEU . 4.1 mt -77.61 -20.01 54.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 7.3 m-85 -130.63 55.69 20.4 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.275 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.7 Cg_endo -86.88 -41.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.608 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.01 161.34 20.83 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.418 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.23 27.54 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -109.18 30.45 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 90.06 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -102.19 49.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -57.57 -49.38 76.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -163.73 -71.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 86.26 -53.22 4.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.714 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tp 63.4 -69.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.593 0.235 . . . . 0.0 111.478 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -175.57 -51.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.98 55.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -59.92 -67.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 m -155.71 102.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -164.31 176.27 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -164.69 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 -174.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -144.89 -178.8 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.01 135.3 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.39 -157.21 15.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -148.07 34.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.07 159.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.68 151.69 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -39.03 84.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.25 99.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -152.86 -178.48 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 118.44 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 m 60.14 43.87 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.48 121.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.76 -32.83 73.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -19.34 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.287 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.104 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.876 0.369 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -121.38 82.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.541 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.454 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.5 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.472 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.452 ' CB ' ' N ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 19.4 mt -77.1 -23.95 51.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.476 ' CG ' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -128.02 56.74 22.39 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.121 179.111 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 91.5 Cg_endo -88.72 97.16 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.446 2.097 . . . . 0.0 112.484 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.62 58.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -159.44 153.34 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -142.19 11.31 1.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.733 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.12 -53.43 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.84 29.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.1 -2.55 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -119.32 -2.2 10.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.523 0.201 . . . . 0.0 111.541 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.72 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.793 0.33 . . . . 0.0 111.289 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -88.98 -20.64 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.356 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -24.22 66.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.59 -29.06 21.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.68 -30.07 69.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -105.95 -29.3 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 20.8 m -158.47 94.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 87.93 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.19 -67.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 132.63 -119.34 2.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.568 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.24 -176.79 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.28 123.49 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.5 tt -162.04 -46.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.25 128.33 34.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.73 166.14 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -88.89 -64.18 1.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 11.2 mt -157.82 -60.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.04 37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.25 17.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -61.23 171.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.28 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -79.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.3 m 54.89 65.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.68 178.69 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 89.0 p -102.01 173.12 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.93 92.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.69 69.3 1.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.57 -173.07 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 24.3 mm -85.92 143.3 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -111.54 -178.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 34.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.21 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -157.2 175.5 13.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.29 166.04 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 11.8 t 61.43 152.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 155.12 42.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.68 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.66 -44.79 85.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -109.33 -17.34 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.849 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -71.76 74.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 HG13 ' HA ' ' B' ' 128' ' ' LYS . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' NE2' ' CG ' ' B' ' 136' ' ' PHE . 1.1 mm100 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.679 HG13 ' HB1' ' A' ' 31' ' ' ALA . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB1' HG13 ' A' ' 27' ' ' ILE . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 24.2 mt -77.63 -21.46 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 3.5 m-85 -133.91 54.6 12.82 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.312 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 84.6 Cg_endo -90.45 59.56 1.53 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.32 70.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -160.0 104.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.58 ' CD1' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.32 165.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -77.52 -28.7 52.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.79 101.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.27 103.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.35 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.83 25.21 28.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 113.11 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.21 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.95 -53.01 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.16 104.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 p -155.88 48.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.84 98.02 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 m -59.94 105.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 103.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.02 -47.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.17 110.19 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.72 65.28 1.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.603 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -144.5 -57.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.1 mm -120.53 112.0 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.29 -68.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -77.92 -166.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -150.25 23.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -79.84 -165.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pp -112.35 -36.01 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -164.43 96.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -131.36 5.18 5.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.53 80.4 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.805 0.336 . . . . 0.0 110.706 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 24.36 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.733 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.145 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.84 0.352 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -146.56 88.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.426 ' CD2' ' CD1' ' B' ' 135' ' ' LEU . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.414 ' CG2' ' HD3' ' A' ' 3' ' ' ARG . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.484 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.408 ' CB ' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' B' ' 130' ' ' TYR . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' B' ' 131' ' ' ALA . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' B' ' 136' ' ' PHE . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 10.4 mt -75.87 -23.79 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.472 ' CG ' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -130.88 60.84 55.92 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.891 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 97.2 Cg_endo -89.23 90.91 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.658 2.239 . . . . 0.0 112.478 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.5 -32.79 2.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.87 177.66 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.58 9.69 2.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.648 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -31.1 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.78 80.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.38 -44.53 95.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -73.68 -26.83 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -53.8 -54.29 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 111.31 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.42 ' HA ' ' CD2' ' B' ' 149' ' ' LEU . 80.3 m95 -66.18 -16.1 63.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.328 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -103.31 -5.48 22.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.28 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . 0.416 ' HA ' ' HB ' ' B' ' 151' ' ' THR . 2.1 mt-10 -113.85 -19.74 11.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.205 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' B' ' 150' ' ' LYS . 3.3 pp -60.44 -29.65 69.15 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . 0.421 ' N ' ' CD1' ' B' ' 149' ' ' LEU . 3.7 ptmt -95.28 -23.45 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.072 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 148' ' ' GLU . 16.9 m -83.48 73.39 10.19 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.14 112.25 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.56 106.34 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.46 -65.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.555 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -85.56 108.12 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -143.72 153.3 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.425 HD13 HG21 ' B' ' 157' ' ' ILE . 0.2 OUTLIER -48.76 -34.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.431 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.4 168.08 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -159.85 68.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -155.3 24.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.608 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -179.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.38 -74.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -123.42 74.45 0.39 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 59.94 -176.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.51 139.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.05 66.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.6 m -165.29 -42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -56.31 -44.23 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.96 -65.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 23.6 t -56.36 138.15 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 75.15 30.8 58.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -134.65 91.59 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -119.25 145.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.09 -32.25 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.62 159.45 35.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.76 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.39 99.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.1 pp -119.36 -17.72 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.459 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -87.23 -134.7 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.6 -72.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.527 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -117.75 22.87 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.138 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER -75.4 85.06 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 103' ' ' ARG . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 3.9 mt -72.83 -19.94 61.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -133.71 65.03 69.97 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.48 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -93.15 -175.53 0.52 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.082 2.521 . . . . 0.0 112.752 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.41 -52.57 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.094 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.58 ' CD1' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -154.71 125.03 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -157.72 -67.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm 62.29 117.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -63.96 -58.49 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.18 -76.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.77 -58.24 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.57 100.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.91 61.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.8 -28.41 15.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt 62.92 71.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.48 -178.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 99.61 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.2 32.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 146.4 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -122.05 173.6 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.09 159.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.76 -46.2 90.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.717 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.24 154.12 38.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.019 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.62 131.32 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 pp -163.49 165.84 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 49.83 77.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.345 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.67 81.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.47 -33.0 48.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -94.28 151.17 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.67 24.15 9.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.641 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.65 -33.48 70.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.888 0.375 . . . . 0.0 110.733 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.04 24.81 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.773 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.225 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.926 0.393 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.21 76.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.419 ' CB ' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.453 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.553 HD21 ' CG1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.584 HG12 ' HB1' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.584 ' HB1' HG12 ' B' ' 127' ' ' ILE . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.599 ' HB2' ' CD1' ' B' ' 136' ' ' PHE . 0.1 OUTLIER -58.47 -33.45 69.77 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.599 ' CD1' ' HB2' ' B' ' 135' ' ' LEU . 0.1 OUTLIER -131.81 76.37 74.35 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.699 178.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 15.6 Cg_exo -68.97 -56.86 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.801 2.334 . . . . 0.0 112.293 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.06 159.58 53.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.556 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.45 174.04 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.43 10.05 2.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.795 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.3 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.83 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.37 -20.92 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -50.38 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.77 0.319 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.7 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.352 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -21.65 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.77 -21.26 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -105.85 -11.49 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.311 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -31.17 70.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.66 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -29.41 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 64.7 m -156.62 99.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -34.45 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.0 129.92 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 95.13 63.42 0.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.49 71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -145.27 19.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.43 HD12 HG23 ' B' ' 157' ' ' ILE . 25.8 mm 56.61 105.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.0 111.282 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -174.64 77.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -63.83 102.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -112.7 -82.73 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.98 76.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.18 -60.37 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -162.49 29.38 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.184 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 60.75 31.09 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.94 156.89 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.2 m 59.97 161.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -177.0 141.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -71.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.6 p -175.76 166.92 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.79 163.17 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.25 -108.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.602 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.45 -77.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.73 140.19 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.58 -34.64 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.49 69.79 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.0 158.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.47 67.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.7 129.25 54.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 -62.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -112.82 -127.22 4.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.585 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.75 -75.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.819 0.342 . . . . 0.0 110.677 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.05 -17.55 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.119 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.22 83.02 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.472 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.472 ' SD ' ' CG2' ' A' ' 6' ' ' ILE . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.686 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.3 t-160 -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' HG ' ' CD1' ' B' ' 136' ' ' PHE . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' N ' ' HB3' ' A' ' 20' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.455 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' C ' ' HD3' ' A' ' 37' ' ' PRO . 25.3 mt -71.31 -19.21 62.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 19.2 m-85 -122.95 61.75 17.56 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.055 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 23.2 Cg_exo -63.54 -66.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.253 1.969 . . . . 0.0 112.148 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.28 -92.18 0.41 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.605 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -113.05 158.06 20.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 60.97 31.29 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -128.02 -48.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.82 -24.59 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -169.27 175.92 5.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.47 95.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.57 84.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.19 143.38 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.31 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.51 -59.78 2.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? 62.25 117.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.346 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.7 t 64.85 70.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 71.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -61.09 -27.43 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 40.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -145.3 -47.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.31 86.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -131.89 -105.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -109.29 146.73 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 73' ' ' ILE . 29.3 mm -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -178.05 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.15 172.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -160.88 27.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -119.36 138.26 53.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.07 149.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -134.36 119.73 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.01 23.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.94 68.8 0.61 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 64.38 26.88 13.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.197 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.14 67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.457 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 23.0 t-160 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.484 ' HB ' ' HA ' ' B' ' 117' ' ' LYS . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.405 ' CD1' ' NE2' ' B' ' 123' ' ' GLN . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 137' ' ' PRO . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 31' ' ' ALA . 10.5 mt -73.53 -19.74 60.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.468 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -132.77 60.49 50.39 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.348 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.457 ' HG3' ' O ' ' B' ' 134' ' ' ARG . 20.6 Cg_endo -87.38 -55.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.492 2.128 . . . . 0.0 112.274 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.51 -160.34 13.21 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.608 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -91.32 133.74 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.83 -26.75 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.95 -63.72 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.54 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.04 -31.19 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -26.49 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.38 71.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.218 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.406 ' CE3' ' CD1' ' B' ' 149' ' ' LEU . 89.4 m95 -66.55 -22.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -85.52 -3.11 58.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.28 -2.82 13.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.362 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.406 ' CD1' ' CE3' ' B' ' 146' ' ' TRP . 1.5 mt -60.83 -31.99 71.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.937 0.399 . . . . 0.0 110.468 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.75 -24.17 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.689 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 86.7 m -56.76 -39.55 74.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 47.2 ttp -118.99 164.93 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 152.19 41.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -81.27 142.15 22.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -139.12 -45.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.8 16.18 9.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.275 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 16.5 mm -143.63 16.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.359 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 174.79 111.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.07 -26.07 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 123.32 -48.01 0.98 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 150.5 47.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.54 -60.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -104.29 -104.14 2.89 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.173 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -178.6 153.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 3.6 t 66.17 164.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 2.3 p 73.75 145.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.8 m 63.89 129.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.75 19.41 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.244 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.3 m 55.35 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.066 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 53.1 t 59.89 156.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 176.21 128.67 1.14 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.41 172.2 13.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.27 148.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.0 tp 70.58 -62.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.6 t70 54.26 30.97 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.42 -30.51 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.5 107.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.7 38.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.2 m -107.74 -67.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.63 -95.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 53.25 76.64 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.813 0.339 . . . . 0.0 110.51 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 61.33 24.34 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.163 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.34 70.76 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.41 ' CE ' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' NE2' ' CE2' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.614 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' B' ' 136' ' ' PHE . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB3' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' N ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' B' ' 105' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.711 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.765 HD22 ' HG ' ' B' ' 135' ' ' LEU . 40.9 mt -77.2 -17.34 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.3 m-30 -87.39 -39.17 0.5 Allowed Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 36' ' ' PHE . 38.3 Cg_endo -68.41 -88.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.392 2.062 . . . . 0.0 113.209 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA2' ' CZ ' ' B' ' 134' ' ' ARG . . . -162.1 170.34 37.72 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.024 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 -98.07 -176.73 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.02 133.72 51.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.47 110.96 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.99 -33.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -176.8 86.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.82 70.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 141.38 -34.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.35 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.594 0.235 . . . . 0.0 111.505 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -178.02 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.034 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.04 -49.24 3.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -176.45 155.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.84 151.47 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 111.72 5.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -60.09 -21.22 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -56.26 122.01 10.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.19 -36.0 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.69 142.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.48 56.97 5.27 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.3 54.02 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.0 mm -135.74 154.12 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 3.1 mm? -109.69 -43.46 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -61.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.06 65.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.53 40.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.43 154.09 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -113.55 -35.12 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.77 -22.29 53.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.22 87.4 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.812 0.339 . . . . 0.0 110.484 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 62.13 21.42 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.163 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m -121.1 101.52 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.403 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.404 ' CG2' ' CE ' ' B' ' 108' ' ' MET . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.404 ' CE ' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.459 ' NE2' ' CG ' ' A' ' 36' ' ' PHE . 3.2 mm100 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.692 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 4.5 t-160 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.692 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.51 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.579 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.579 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.439 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.765 ' HG ' HD22 ' A' ' 35' ' ' LEU . 11.7 mt -70.64 -30.96 67.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.5 ' CD1' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -131.87 66.94 78.93 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.974 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.407 ' CG ' ' HG2' ' A' ' 34' ' ' ARG . 83.2 Cg_endo -92.02 -166.44 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.912 2.408 . . . . 0.0 112.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 131.11 87.2 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.789 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 115.0 2.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.73 -13.92 62.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -33.78 71.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.236 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -32.04 73.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -67.51 -27.21 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.08 -51.11 69.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' B' ' 149' ' ' LEU . 80.7 m95 -69.37 -19.88 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.44 -20.72 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.197 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.13 -6.26 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.337 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.413 HD12 ' CE3' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -33.23 72.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.384 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 14.87 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 29.9 m -103.2 27.87 6.84 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -168.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.0 156.57 35.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -172.36 -120.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -164.42 -67.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.88 95.28 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 1.3 tp -62.18 120.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -176.94 122.57 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.0 130.16 45.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -74.45 -27.54 65.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.98 -65.25 0.06 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.53 -60.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -107.64 53.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -61.31 158.4 14.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.52 149.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.59 -76.24 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.217 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 69.5 m 64.05 99.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.16 -43.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 13.5 m 63.29 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.62 55.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 69.02 143.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.619 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -104.44 -16.52 15.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 111.178 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.12 148.46 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.452 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 4.8 mt -84.09 174.32 10.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.93 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.12 17.81 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.33 101.46 6.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 15.4 mt 61.13 -175.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -57.38 -62.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 74.67 125.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.82 -49.84 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -19.46 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.087 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.89 0.376 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.624 ' HB2' ' HD1' ' B' ' 113' ' ' HIS . 11.6 p -101.44 95.32 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' NE2' ' CZ ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 11.7 t-160 -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.567 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.493 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.567 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' CD2' ' HG ' ' B' ' 135' ' ' LEU . 10.1 mt -77.02 -20.79 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CZ ' ' NE2' ' B' ' 112' ' ' GLN . 6.1 m-85 -89.75 -52.75 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 73.7 Cg_endo -76.89 -178.99 4.97 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.605 2.203 . . . . 0.0 112.604 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.83 70.73 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.03 142.75 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.42 100.31 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -106.55 -29.38 9.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.93 123.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.63 -164.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.767 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -54.1 -31.23 51.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.57 39.15 90.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.55 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -64.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.75 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.6 98.2 1.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.03 137.07 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.22 151.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t 70.11 -63.99 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.53 131.12 21.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -178.28 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -158.54 -75.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.3 t -140.94 160.03 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.29 120.88 4.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.88 -34.46 16.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.6 mm -108.4 148.34 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.9 -60.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -162.88 -61.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.07 -75.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -85.81 112.06 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.35 149.06 29.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.85 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.45 -132.75 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.559 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 62.67 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 110.669 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.87 -16.99 27.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.945 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.09 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 8' ' ' MET . 44.2 p -108.31 91.87 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.404 ' CD ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.498 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 0.9 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.624 ' HD1' ' HB2' ' A' ' 2' ' ' SER . 15.7 t-160 -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.577 HD11 ' H ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.577 ' H ' HD11 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.57 HG12 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.57 ' CB ' HG12 ' B' ' 127' ' ' ILE . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.445 ' O ' ' CZ ' ' B' ' 136' ' ' PHE . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 35' ' ' LEU . 5.7 mt -77.21 -21.76 53.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.483 ' CZ ' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -130.94 62.39 65.25 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -85.18 -46.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.751 2.301 . . . . 0.0 112.535 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.81 -153.26 11.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.38 -175.46 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.24 6.92 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.622 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -30.83 66.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.38 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.6 -29.76 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.67 -43.34 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.9 87.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.234 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -23.74 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.289 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -62.7 -21.19 65.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . 0.555 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 2.2 mt-10 -93.54 -29.36 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.92 -33.26 72.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' B' ' 151' ' ' THR . 0.0 OUTLIER -94.59 48.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 7.4 m 70.9 125.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.988 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' MET . . . . . 0.555 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 4.3 tpt -124.66 109.02 12.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.894 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.21 131.06 55.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 179.35 64.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.83 153.06 27.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.753 0.311 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -150.04 120.98 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 4.7 mt 63.01 158.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.08 154.33 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -59.43 -48.57 81.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 59.14 31.17 68.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.91 -52.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.41 -57.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.34 -42.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER -177.59 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.631 0.253 . . . . 0.0 111.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' B' ' 164' ' ' LYS . 35.0 m 44.82 46.36 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.976 0.417 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 11.5 m -108.71 -177.55 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 12.0 t -56.92 164.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -55.49 126.33 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 82.6 p -154.39 161.16 41.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 53.4 t 59.32 155.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -82.54 132.12 10.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 -177.8 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 20.6 mm -100.76 150.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.62 -164.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.38 85.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.74 -30.3 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -156.97 147.12 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 10.7 mt 61.81 115.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 22.5 p -71.35 -31.03 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.2 -118.18 4.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.48 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -94.98 -17.94 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.014 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.084 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.728 0.299 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.43 64.51 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG2' ' HE2' ' A' ' 8' ' ' MET . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.678 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.625 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CD2' HD13 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.556 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 42.3 mt -79.71 -25.79 41.06 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 1.6 m-30 -97.12 5.14 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 66.0 Cg_endo -89.0 175.93 3.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.027 1.818 . . . . 0.0 112.563 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.22 -62.51 1.28 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.243 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -154.81 101.9 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -136.59 145.69 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -138.14 129.92 28.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.37 101.25 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.48 178.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.1 85.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.26 93.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 132.62 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.32 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.57 25.45 7.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -84.05 -39.07 20.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.9 m 43.05 44.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.621 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -149.2 121.52 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.6 p -63.33 -18.43 63.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.268 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -50.44 157.87 0.67 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.764 0.316 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -154.77 -64.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.27 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.276 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.97 7.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.5 -178.94 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.4 mm -109.97 162.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 167.44 10.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -70.63 -11.3 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -161.46 138.53 8.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.61 76.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.2 mt -98.61 -53.28 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 177.0 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.26 -107.1 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 62.53 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -94.25 -17.9 22.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.963 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.072 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -94.5 59.97 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.475 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.475 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 36' ' ' PHE . 12.5 mm100 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.69 ' CD2' ' HE3' ' B' ' 117' ' ' LYS . 10.1 t-80 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.972 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.511 ' HB3' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.645 ' CG1' ' HD2' ' B' ' 117' ' ' LYS . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.52 ' CB ' HD13 ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 4.9 mt -76.33 -19.7 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 6.7 m-85 -132.45 59.35 43.01 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.871 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 24.3 Cg_exo -63.42 -27.32 70.83 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.32 2.013 . . . . 0.0 112.131 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.38 87.81 0.5 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.99 161.79 26.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.17 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -45.69 59.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' B' ' 146' ' ' TRP . . . -60.99 -38.5 86.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.26 -14.02 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.45 -28.62 10.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.173 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.87 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.69 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.432 ' O ' ' CD2' ' B' ' 149' ' ' LEU . 0.5 OUTLIER -68.51 -7.88 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.622 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . 0.41 ' N ' ' HD1' ' B' ' 146' ' ' TRP . 4.1 tm0? -55.78 -22.9 26.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.135 0.493 . . . . 0.0 110.149 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -9.24 41.07 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -29.73 69.6 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.59 -23.88 13.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.418 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 4.1 m -67.07 -50.9 60.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 46.06 -169.98 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.27 -65.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 156.88 -139.17 6.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 62.73 122.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -171.33 169.32 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' B' ' 157' ' ' ILE . 0.2 OUTLIER -133.21 -38.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.418 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.409 ' N ' HG12 ' B' ' 157' ' ' ILE . 4.5 m-20 59.64 -179.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -159.97 53.49 0.35 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -121.78 61.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.586 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 100.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.83 63.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 111.6 28.08 3.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? 63.94 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.664 0.269 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 24.8 t -129.74 136.64 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.988 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 60.8 m -166.22 -44.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.4 t -58.98 129.02 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 101.77 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.91 -58.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 20.2 t -143.36 159.51 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 173' ' ' ILE . . . -96.6 28.73 12.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.533 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 58.87 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' B' ' 171' ' ' GLY . 21.6 mm -118.49 153.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tp -112.24 -29.75 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -142.99 88.97 2.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.57 -73.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -171.9 2.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.64 102.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -149.32 30.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.62 -100.2 1.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.62 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.58 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -16.73 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER -94.68 48.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.443 ' SD ' ' CG2' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.762 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 8.5 t-80 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' B' ' 136' ' ' PHE . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.017 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.777 HG13 ' HB1' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB1' HG13 ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' C ' ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -69.98 -19.7 63.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 17.9 m-85 -125.24 61.11 32.97 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.397 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 91.7 Cg_endo -92.52 -166.34 0.16 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.842 2.362 . . . . 0.0 112.372 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.25 109.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.406 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.01 148.07 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD13 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD13 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -104.91 91.83 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 171.29 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -111.9 122.35 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -175.97 120.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.09 96.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.28 34.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.86 155.42 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.0 75.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.07 -72.13 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.148 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? 58.9 159.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 111.17 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 m -109.52 153.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -172.78 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.21 142.21 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -108.72 37.51 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -92.85 168.21 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.43 93.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.46 -119.91 6.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.8 -171.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -133.39 179.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -177.46 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -145.77 -167.18 2.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 63.44 135.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.41 114.8 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.79 80.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -112.47 -22.89 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.63 -20.77 0.7 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.731 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 43.8 83.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.859 0.361 . . . . 0.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.08 23.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.139 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.283 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p -82.82 4.24 26.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.65 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.421 ' CD2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 26.1 mm100 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.707 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.707 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.405 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.583 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.405 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 35.4 mt -66.93 -20.47 65.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 16' ' ' LEU . 1.6 m-85 -127.53 69.05 74.93 Favored Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.47 -63.99 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.385 2.057 . . . . 0.0 111.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 150.21 -28.16 1.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.493 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.86 156.41 38.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.261 0.553 . . . . 0.0 111.597 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.54 22.17 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.78 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -66.8 -68.86 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.14 -25.26 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.691 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.22 -34.33 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.604 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -107.69 -66.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -44.98 -55.33 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.905 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -66.39 -18.54 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.497 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -25.37 57.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.42 -11.33 9.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.408 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.73 -29.97 69.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -34.49 11.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.513 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.9 m -161.85 118.52 2.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.322 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.8 ttm -112.37 129.4 56.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.778 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -121.75 135.41 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -176.65 -124.89 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -81.76 142.73 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.72 -36.23 3.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 40.9 pt -92.78 50.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 138.3 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.81 -67.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.04 3.61 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -21.91 47.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.663 0.268 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -164.72 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.74 -55.06 29.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.389 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? 60.04 159.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.81 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 22.4 t -109.13 58.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 34.2 m 60.6 88.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.6 92.29 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.88 -174.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 15.7 t -106.92 39.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.56 -112.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -108.51 105.3 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.4 mm -76.5 146.56 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 mt -124.44 159.33 30.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.7 142.09 56.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -177.25 -175.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.59 74.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.5 pp -134.58 145.07 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 44.0 t -133.02 25.89 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -126.02 -33.97 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.732 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.08 81.71 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.11 22.01 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.443 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.198 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.5 81.67 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.422 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.3 OUTLIER -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.649 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.3 t-160 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' HD22 ' A' ' 19' ' ' LEU . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.493 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.437 ' CE1' HD12 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' B' ' 135' ' ' LEU . 1.4 mt -77.25 -27.4 53.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.524 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -90.06 -53.13 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.405 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 50.8 Cg_endo -92.07 175.35 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.397 2.731 . . . . 0.0 112.634 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.373 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -105.89 161.87 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -63.93 118.25 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.46 159.46 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 tt -132.49 121.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -177.7 152.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 37.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 43.62 64.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.16 -30.59 69.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.0 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.13 58.78 0.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 60.67 167.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.4 129.31 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -79.47 131.12 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -176.64 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 67.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.36 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.6 113.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.04 48.91 0.94 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.53 159.74 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.5 mm -101.58 116.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -156.48 175.18 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.34 28.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.91 115.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -156.64 149.95 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.94 -169.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.27 -166.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.33 -14.06 59.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.748 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.82 99.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 64.51 25.62 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.221 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.83 78.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.471 ' NE2' ' CE2' ' A' ' 36' ' ' PHE . 2.5 mm100 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.52 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.789 HG12 ' HB1' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.789 ' HB1' HG12 ' B' ' 127' ' ' ILE . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt -78.12 -19.9 53.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.522 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 14.6 m-85 -129.46 50.89 6.51 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.864 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 76.2 Cg_endo -91.14 -13.57 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.84 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -46.64 139.8 7.15 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.989 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -95.52 131.46 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.84 -21.24 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.474 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -15.12 21.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.395 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.44 -49.14 62.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 111.463 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -58.43 -34.59 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.218 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -17.9 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.361 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.98 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.371 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -79.76 -18.13 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -84.02 0.38 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.545 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -118.11 -16.23 9.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.442 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.94 -32.65 72.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.88 24.58 12.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 70.9 m -100.16 -31.11 11.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.743 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -47.24 5.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 pp -110.2 176.32 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.33 164.92 20.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.79 143.99 38.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.38 156.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pt -84.53 171.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.85 164.3 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -172.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 161.69 -32.09 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.23 86.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.42 89.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.988 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.67 -78.81 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . 0.424 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 1.2 mmpt? 60.53 163.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.32 159.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.4 p -70.78 64.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 5.7 t -97.11 89.46 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -64.53 -48.71 74.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 5.6 t -168.81 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 2.4 t -87.6 165.11 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -78.43 115.57 4.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.844 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.11 -93.37 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 1.2 mt 61.36 150.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 111.059 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.77 -165.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.2 p30 44.8 -166.32 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.612 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.61 168.91 18.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 45.85 78.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.79 -66.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.3 m -148.46 151.48 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.13 -14.58 63.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.752 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.66 -33.64 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -109.5 -21.17 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.113 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.721 0.296 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -60.3 87.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.418 ' HE2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' CE2' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.75 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.85 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.569 ' CD2' ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.85 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' O ' ' CD2' ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' C ' ' HD2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.94 -22.4 65.94 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 4.6 m-85 -88.13 -50.45 0.42 Allowed Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 45.0 Cg_endo -95.1 -163.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.331 2.687 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -72.99 1.04 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.918 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -158.42 161.28 37.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 131.57 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.84 55.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 mm 63.84 161.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.77 106.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.17 134.24 56.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.8 45.73 1.81 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.52 74.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.64 52.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.54 87.0 0.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -58.05 -30.4 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.98 155.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 157.76 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -165.3 155.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 160.01 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.46 -37.41 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.14 151.19 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 125.07 3.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -85.72 103.11 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' ASP . 27.4 mm -110.02 109.51 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mp 65.42 -69.36 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.18 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t70 51.41 -171.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.169 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -174.31 147.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -68.37 70.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.96 -177.54 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.55 101.25 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.49 -26.83 20.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.669 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 62.38 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -101.39 20.1 16.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.206 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.72 0.295 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 67.67 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.436 ' CG2' ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.502 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.1 t-160 -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.519 HG13 ' CB ' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' B' ' 136' ' ' PHE . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 35' ' ' LEU . 27.5 mt -72.06 -19.82 61.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.5 ' CE2' ' NE2' ' A' ' 12' ' ' GLN . 2.2 m-85 -135.76 61.45 42.21 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.31 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 11.1 Cg_exo -71.53 -56.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.526 2.151 . . . . 0.0 112.025 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 167.08 159.7 13.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.21 169.39 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.88 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -76.03 -39.48 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.26 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.14 26.21 3.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.295 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -112.9 -39.19 4.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.5 63.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -68.77 -21.38 64.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -104.2 33.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.741 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.63 -34.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.37 -29.96 69.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.21 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.04 -23.0 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.6 m -60.49 -50.21 74.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 178.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 171.33 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -169.46 160.75 34.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.56 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 60.54 163.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -62.62 -57.87 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.9 pp -147.21 178.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -176.6 144.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 109.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 133.71 43.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.567 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.56 174.62 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -174.12 -68.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.16 -114.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.461 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.54 47.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 35.8 m -96.46 170.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.13 74.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.0 t -60.79 173.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -177.69 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.9 m 62.5 175.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.0 88.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 73.13 -141.55 30.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.86 177.29 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 30.3 mm -110.7 104.8 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mp -135.85 -62.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.64 132.16 52.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -61.79 -174.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' B' ' 177' ' ' GLU . 10.1 pt-20 40.34 90.85 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.96 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.09 88.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 79.4 p -112.61 148.62 34.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 90.89 99.77 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.559 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.66 100.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 110.572 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 63.18 24.73 14.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.181 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.792 0.33 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' B' ' 108' ' ' MET . 3.0 p -91.51 48.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.454 HG13 ' HA ' ' B' ' 128' ' ' LYS . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.408 HG21 ' CG ' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.498 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 4' ' ' LEU . 17.3 mt -67.59 -19.88 65.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -148.87 69.71 10.08 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.878 179.32 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 74.0 Cg_endo -89.85 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.969 2.446 . . . . 0.0 112.754 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.6 -92.24 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.611 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -125.33 129.83 50.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -85.49 -177.01 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -97.05 102.98 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.08 -35.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 177.8 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.48 100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.22 -65.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.93 136.86 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.48 -79.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 25.49 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.376 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 53.82 32.78 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.75 26.99 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t 56.69 91.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -60.95 170.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 140.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m 59.6 168.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.66 152.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.18 -88.34 1.06 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.435 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -146.88 101.28 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.4 139.59 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -110.81 -68.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -29.08 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 64.35 132.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -65.94 -164.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pp -127.5 160.36 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 m 60.75 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.59 120.55 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -34.14 70.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -140.76 28.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.043 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 92.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.444 HG23 HD13 ' B' ' 106' ' ' ILE . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' SER . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.523 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.486 ' C ' ' HD3' ' B' ' 137' ' ' PRO . 18.3 mt -77.68 -19.5 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 10.2 m-85 -122.49 50.94 2.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.983 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 84.8 Cg_endo -88.25 -166.01 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.514 2.143 . . . . 0.0 112.19 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.4 82.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.531 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -102.7 148.55 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.9 11.3 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.568 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -61.42 -35.25 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.084 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -30.84 70.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -79.84 -31.52 40.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.25 -66.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -26.35 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -30.61 66.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.13 0.49 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' B' ' 152' ' ' MET . 0.6 OUTLIER -82.47 -32.89 28.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.369 179.639 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.09 -29.97 71.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -35.89 8.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.024 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.8 m -164.65 92.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' MET . . . . . 0.414 ' HB2' ' HG2' ' B' ' 148' ' ' GLU . 8.6 ttt -76.5 138.45 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.31 139.78 41.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -168.53 -148.89 5.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.76 17.71 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.261 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 54.34 3.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.451 HD12 HG22 ' B' ' 157' ' ' ILE . 31.3 mt -146.07 147.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.95 123.05 17.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.69 148.18 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -131.13 -58.57 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.07 147.08 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -174.56 -57.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -141.29 27.36 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.557 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.92 52.69 8.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.42 142.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 117.73 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 11.3 p 56.03 103.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 142.59 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -172.5 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 18.8 t -131.36 159.47 43.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -99.33 -42.74 2.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.37 118.4 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 21.4 mm -87.11 112.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.78 174.0 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -138.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 76.3 130.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -152.43 96.97 2.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.1 pp -143.82 147.72 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 28.6 t 62.86 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 166.76 -96.21 0.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 62.39 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 110.61 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -113.32 21.6 15.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.244 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER -77.26 72.12 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HE1' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 13.4 t-160 -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' CD2' ' B' ' 136' ' ' PHE . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 14.1 mt -77.99 -23.61 48.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -127.05 51.13 6.02 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.5 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 54.9 Cg_endo -92.09 -18.95 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.64 2.226 . . . . 0.0 113.125 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.4 -125.4 7.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.789 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.08 151.25 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.486 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.15 155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -115.86 -72.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tt -155.95 26.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.13 -44.09 31.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 p30 43.66 33.3 0.66 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.536 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.92 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -151.22 -177.2 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -173.27 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.69 97.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt 66.54 -71.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.681 0.276 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.7 156.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.069 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 58.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 149.35 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 83.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -137.36 -47.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -58.45 107.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.1 122.22 5.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 166.23 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mm -110.93 161.04 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.26 -64.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -164.79 163.27 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 61.46 114.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.39 107.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.25 -179.35 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 t -87.16 -54.97 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.91 -38.31 10.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.607 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.51 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -97.07 14.01 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.804 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.21 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 81.88 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.578 HG13 ' HA ' ' A' ' 28' ' ' LYS . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' SER . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.626 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.604 ' HG ' ' HE2' ' B' ' 130' ' ' TYR . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.547 ' CD2' ' HA ' ' B' ' 116' ' ' LEU . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.604 ' HE2' ' HG ' ' B' ' 116' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' B' ' 127' ' ' ILE . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.495 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.456 ' HB3' ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.11 -19.78 56.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.595 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 1.9 m-85 -137.42 50.47 3.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.142 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 65.1 Cg_endo -91.96 26.44 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.62 2.213 . . . . 0.0 112.41 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 153.58 91.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -109.39 -177.55 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.92 10.55 1.98 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.84 -24.48 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.7 -23.71 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.303 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 147' ' ' GLN . 0.7 OUTLIER -55.06 -27.01 41.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.04 -20.27 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.353 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.87 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.263 0.554 . . . . 0.0 111.817 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.42 ' CE3' HD21 ' B' ' 149' ' ' LEU . 42.9 t-105 -81.61 -6.45 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.234 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' B' ' 143' ' ' ASP . 12.4 mm100 -97.37 25.93 5.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.066 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.23 -41.02 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.42 HD21 ' CE3' ' B' ' 146' ' ' TRP . 3.7 pp -60.76 -29.86 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.614 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -13.78 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.028 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.7 m -54.04 -49.47 68.88 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.2 ttt -81.68 141.99 33.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.95 178.75 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -131.16 90.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 60.37 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -106.24 101.07 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.481 HG23 HD13 ' B' ' 157' ' ' ILE . 0.0 OUTLIER -172.56 -41.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.05 120.04 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.23 -178.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.36 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -160.82 -45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.33 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -151.98 54.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.57 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 60.18 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.37 109.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -166.66 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 10.5 t -173.91 163.45 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.88 -179.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 21.5 m -65.82 -35.27 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.11 110.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 139.63 -156.31 24.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -123.16 31.28 6.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -101.18 160.36 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.2 tt 70.28 -65.1 0.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.83 91.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -24.25 62.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -152.31 118.34 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 121.89 30.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 6.2 p -72.64 -31.01 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.35 120.4 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -55.47 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.365 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.06 23.2 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.15 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER -113.62 68.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 HG22 ' HD2' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 HG22 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' B' ' 136' ' ' PHE . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HB3' ' CE2' ' B' ' 136' ' ' PHE . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 42.3 mt -77.29 -23.23 51.14 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -137.97 52.74 5.29 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.324 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 72.0 Cg_endo -92.34 -177.25 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.793 2.329 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.14 0.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.613 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.08 165.01 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.417 ' CE2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 58.83 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.67 48.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.4 mt 65.74 46.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -59.65 100.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.69 124.83 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.85 39.01 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.08 87.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 110.98 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -71.25 0.69 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.15 29.49 0.23 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm 55.07 84.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -157.48 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.446 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER 49.35 47.98 21.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 0.0 111.28 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 68.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 -45.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -166.62 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -143.84 159.39 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.26 155.04 7.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -31.27 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.8 144.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 mt -104.1 -169.65 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.1 174.73 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.31 97.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -156.58 114.79 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.05 -53.18 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -110.19 147.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.82 -149.56 16.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.72 79.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.392 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 67.89 22.91 8.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.27 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.118 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.29 52.03 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.475 ' HD2' HG22 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.456 ' CG2' ' SD ' ' B' ' 108' ' ' MET . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.436 ' N ' HG22 ' B' ' 106' ' ' ILE . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' B' ' 106' ' ' ILE . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.516 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.53 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 114' ' ' GLN . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.531 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.416 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.574 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 33.3 mt -78.22 -19.69 53.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -127.02 48.96 3.6 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.965 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 88.0 Cg_endo -89.22 145.97 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.351 2.034 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 132.83 82.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -139.06 150.05 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.43 7.02 4.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.679 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.89 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -89.67 -31.03 17.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -85.14 -57.26 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.16 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.347 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -65.22 -19.4 65.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.263 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -24.68 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.04 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -1.05 47.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -30.37 69.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -20.01 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.435 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 -70.44 0.71 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 6.9 tpt 53.13 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.77 150.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 174.65 56.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -126.45 156.05 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 60.65 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 20.4 mt -134.12 -68.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.55 148.15 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -61.49 107.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 179.5 -81.22 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.21 159.65 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.57 36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.99 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER -69.3 -71.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 10.8 p -173.81 135.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 120.39 38.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.3 t -177.16 95.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 122.63 40.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 8.0 t -116.66 -57.17 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.51 124.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -137.65 105.31 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.97 75.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.2 mm -113.14 91.66 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.74 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.29 -79.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 73.6 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.69 62.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.34 -69.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.35 -62.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 160.67 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 100.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 65.99 23.42 11.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.208 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.86 87.8 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.518 ' HA ' ' HD3' ' B' ' 128' ' ' LYS . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.524 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 136' ' ' PHE . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.987 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.637 ' CG1' ' HD2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' B' ' 106' ' ' ILE . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HB3' ' HG ' ' B' ' 116' ' ' LEU . 17.4 mt -74.0 -19.76 60.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' B' ' 116' ' ' LEU . 3.7 m-85 -129.76 59.65 46.28 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.459 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 7.7 Cg_exo -72.65 -67.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.409 2.073 . . . . 0.0 112.22 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.97 -36.56 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.09 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.1 148.48 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 66.33 -72.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.54 175.26 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.61 149.97 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.08 166.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.48 -70.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.81 5.39 3.39 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.053 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp 57.04 157.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.978 0.418 . . . . 0.0 111.343 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.02 -71.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -123.66 29.18 5.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 3.0 mmpt? -59.51 170.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.58 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -101.4 135.39 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 t -176.91 129.93 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.11 117.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 m -116.47 -171.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.12 91.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.373 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.58 -157.18 48.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 -161.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.681 0.277 . . . . 0.0 110.721 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.68 86.54 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.399 . . . . 0.0 111.008 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.06 -169.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.92 105.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -51.86 144.71 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.87 77.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -30.19 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -148.72 164.04 35.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -17.66 54.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.65 102.89 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.794 0.33 . . . . 0.0 110.767 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 24.1 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.693 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.246 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.332 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.28 86.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.435 HD21 ' HE3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.446 ' CG2' ' HE2' ' B' ' 108' ' ' MET . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.536 HG13 ' HB1' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.462 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.443 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 13.8 mt -77.16 -19.77 56.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.496 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 9.8 m-85 -129.09 56.02 21.54 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.499 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.0 Cg_endo -90.45 95.77 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.6 -157.61 10.21 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.611 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -109.71 163.74 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.08 8.1 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -34.26 41.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.66 98.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -29.23 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.3 -27.7 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.26 -35.72 70.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -90.21 14.8 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.465 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.78 -17.82 12.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.675 0.274 . . . . 0.0 111.338 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.46 -4.74 37.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.379 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.76 -32.45 71.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -25.39 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.597 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 79.07 1.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.9 ptm -98.85 26.39 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.41 84.8 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.56 91.66 1.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -121.84 32.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -137.55 155.37 49.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.2 pt -60.18 135.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -177.22 125.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.29 139.69 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.61 -62.15 6.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.48 -50.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.5 90.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 72.39 37.97 58.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER 60.76 99.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 15.4 m -82.49 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 19.3 m -116.12 76.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.5 m -165.0 104.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -73.06 169.52 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 6.7 t -94.32 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 96.2 t 45.84 92.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.372 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -114.51 28.37 8.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.623 0.249 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.2 mm 49.69 95.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.834 0.35 . . . . 0.0 111.41 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.83 158.18 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.25 65.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.1 113.37 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.6 86.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 25.3 mt 60.62 171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 36.1 m 60.51 86.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.24 2.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.56 -31.91 68.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.24 28.36 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.076 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -77.28 78.64 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.817 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.817 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' B' ' 131' ' ' ALA . 39.7 mt -77.23 -19.79 56.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 20.3 m-85 -127.45 55.06 14.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.392 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.9 Cg_endo -88.31 -52.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.731 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.51 -85.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 145.41 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -135.28 77.44 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 8.5 mtt180 -138.3 -86.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.8 mm 67.18 -66.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.3 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -169.07 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 50.96 -178.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.351 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.64 -30.94 2.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.26 168.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 111.268 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.05 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.77 -81.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.556 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -154.71 167.59 29.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 m -143.51 150.83 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.89 138.13 48.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.7 p -65.4 -178.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -174.53 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.056 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 68.4 m -129.91 -172.97 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.01 163.06 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.51 -87.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.712 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 158.94 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -134.17 177.98 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -114.6 -45.74 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.14 -176.87 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.35 64.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.93 119.34 26.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.32 166.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 172.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.52 17.96 57.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.669 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.14 -57.81 7.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.26 -17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.02 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.099 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER 42.97 32.28 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.726 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.419 ' CG2' ' HE3' ' B' ' 108' ' ' MET . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.419 ' HE3' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . 0.401 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.613 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 36' ' ' PHE . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.556 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.424 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.556 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . 0.468 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 14.9 mt -77.31 -18.43 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.512 ' HB2' ' HD3' ' B' ' 137' ' ' PRO . 6.0 m-85 -88.72 -46.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' B' ' 136' ' ' PHE . 5.4 Cg_exo -77.49 -158.55 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.836 2.358 . . . . 0.0 112.313 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -147.02 -146.8 4.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.96 159.47 15.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.6 16.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.523 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.06 -39.5 9.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.142 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.19 -66.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.44 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.0 -27.19 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -92.18 -15.57 27.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.506 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.21 -70.61 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.752 0.311 . . . . 0.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -76.47 -11.8 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.566 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -86.31 6.58 29.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.385 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -129.18 -8.32 4.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.522 0.201 . . . . 0.0 111.514 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.88 -29.99 69.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.091 0.472 . . . . 0.0 110.084 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.43 -19.7 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.637 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -50.87 5.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.211 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.3 ttt 68.51 123.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 4.1 pp -58.81 174.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -165.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 170.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 28.7 mm 63.97 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.3 -172.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -68.29 -60.0 5.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.661 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.24 -70.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -179.71 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.11 -119.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.212 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.95 159.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 14.8 p -135.9 158.79 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 160.21 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.96 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.81 89.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 29.7 t -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.49 155.72 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 152.42 162.8 11.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.73 134.54 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.8 mm -99.74 147.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.69 168.44 14.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 t70 49.93 57.36 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -173.39 -173.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 3.4 mp -70.2 157.61 37.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.1 m -97.74 166.06 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 38.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.707 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.01 -38.23 69.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.488 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.15 1.99 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.185 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.57 68.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.714 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 HG21 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 104' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' HB2' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' CE2' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.544 ' N ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CE2' HD11 ' A' ' 16' ' ' LEU . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 11.2 mt -77.9 -25.58 48.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CE2' ' CD2' ' B' ' 116' ' ' LEU . 23.0 m-85 -94.12 -46.91 0.29 Allowed Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 91.7 Cg_endo -86.71 159.33 9.11 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.69 2.26 . . . . 0.0 112.271 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -84.39 1.1 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.2 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -155.52 149.02 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.33 -11.5 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 63.75 132.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -135.1 128.05 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.251 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.08 99.67 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -52.21 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.77 23.1 78.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -75.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.11 75.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.37 90.94 0.7 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.48 163.64 3.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -152.27 136.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.07 165.56 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -176.68 114.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -124.16 -49.96 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.21 138.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.66 75.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.609 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.56 37.45 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.7 mm -87.27 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.04 -65.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.21 66.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 102.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.72 -31.42 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.3 p -140.97 167.23 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.54 140.13 18.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -54.32 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.692 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -117.96 23.82 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.184 -179.926 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.22 59.61 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.504 HD13 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.628 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.47 ' HB3' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.526 HG13 ' CB ' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.526 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.511 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt -77.05 -22.99 52.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.469 ' CE2' ' O ' ' A' ' 12' ' ' GLN . 12.5 m-85 -129.92 57.49 31.18 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.2 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 90.6 Cg_endo -90.5 136.27 2.24 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.763 2.309 . . . . 0.0 112.452 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.48 109.08 3.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -150.78 150.08 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -134.68 8.75 3.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.732 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.32 -35.78 8.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.45 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -91.23 15.1 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -59.78 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.61 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . 0.407 ' CE3' HD11 ' B' ' 149' ' ' LEU . 95.0 m95 -85.6 -21.55 28.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -21.16 52.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -102.83 -4.38 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.407 HD11 ' CE3' ' B' ' 146' ' ' TRP . 6.4 mt -60.74 -31.21 70.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.943 0.402 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -25.29 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.561 179.359 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 88.0 m -65.32 -77.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 14.9 tpp 64.12 24.22 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.67 149.52 48.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -173.73 131.27 2.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.548 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.7 107.0 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -90.87 158.44 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.95 104.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -169.18 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.01 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 60.64 49.9 73.55 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 2.4 mt -143.16 99.16 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.9 -62.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.5 49.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.638 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -66.52 120.8 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 22.2 t -137.3 158.35 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 21.9 m -106.93 169.11 8.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.85 92.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 157.19 45.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 14.7 p -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.25 128.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.55 91.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -149.41 -164.86 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.41 160.54 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.34 161.6 17.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.48 77.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.27 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -165.79 163.15 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 103.84 2.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 2.7 pp -165.32 162.91 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.38 100.78 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 112.99 27.48 3.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.57 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -59.08 -39.87 83.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 19.2 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.183 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.58 88.97 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.477 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.441 ' CG2' ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' ' CZ ' ' B' ' 136' ' ' PHE . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' HB ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.569 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 83.3 mt -77.33 -22.66 51.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -122.66 52.23 3.99 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.265 179.259 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 90.8 Cg_endo -88.0 92.1 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.338 2.025 . . . . 0.0 112.447 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.88 -56.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -130.81 162.1 30.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.556 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -99.98 154.52 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -74.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 HD13 HG22 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -48.72 -29.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.462 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.88 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.4 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -139.47 -46.62 0.46 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.19 6.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -163.86 118.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.76 70.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 23.99 77.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.597 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 46.95 33.15 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 t 60.09 30.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.68 127.29 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 9.9 t -179.18 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.59 41.23 9.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.408 -179.817 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -87.61 -59.41 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.75 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t 45.93 93.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 81.95 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.63 44.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.58 95.56 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.32 145.05 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -39.18 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 177.59 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.28 95.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.942 0.401 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.38 155.41 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -147.63 -51.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 157.73 -27.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.67 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.785 0.326 . . . . 0.0 110.542 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -104.02 21.17 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.174 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.87 71.71 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.404 ' HE3' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.475 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 4.2 mm100 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.629 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.451 ' HG ' ' HD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.6 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.6 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 131' ' ' ALA . 8.2 mt -71.79 -19.46 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 2.5 m-85 -125.68 60.74 34.2 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.442 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.436 ' HD3' ' C ' ' B' ' 135' ' ' LEU . 73.4 Cg_endo -92.27 26.53 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.567 2.178 . . . . 0.0 112.551 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 175.97 166.74 33.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.69 140.74 31.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.13 99.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.46 -42.02 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.75 96.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -38.53 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.1 -28.97 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.23 90.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -90.34 24.65 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -110.04 -20.7 12.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -105.06 -15.05 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.364 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -98.2 -22.78 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 92.1 m -55.8 -32.86 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -85.95 127.65 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -93.16 -165.08 37.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.77 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 157' ' ' ILE . 0.0 OUTLIER -80.44 -77.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.902 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 156' ' ' ARG . 5.4 tt 49.84 168.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.026 179.737 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.81 104.97 3.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -63.23 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -66.12 77.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -63.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.616 0.246 . . . . 0.0 111.08 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.79 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 149.85 37.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.008 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? 45.46 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 111.613 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 25.7 t -140.17 99.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 -19.58 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.35 150.18 3.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.868 0.366 . . . . 0.0 111.095 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.07 86.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 45.8 m -106.76 167.52 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.25 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 115.51 32.66 1.73 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.68 -30.99 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.8 mm -87.45 133.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.49 163.85 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -38.5 81.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.11 145.87 34.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.09 148.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -107.8 112.07 24.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 71.0 -116.08 6.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.25 80.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.739 0.304 . . . . 0.0 110.711 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 64.63 23.82 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.231 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 51.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.723 ' HB2' ' C ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 101' ' ' MET . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.479 HE21 ' HG3' ' B' ' 101' ' ' MET . 0.0 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.649 ' N ' ' HA ' ' B' ' 101' ' ' MET . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' HB3' ' CZ ' ' B' ' 136' ' ' PHE . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' HB1' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HG ' ' HE2' ' B' ' 108' ' ' MET . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 38' ' ' GLY . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 4.7 mt -77.37 -19.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -96.51 -50.53 0.23 Allowed Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.568 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 60.0 Cg_endo -92.78 -87.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.222 2.615 . . . . 0.0 113.33 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' A' ' 34' ' ' ARG . . . 178.49 -135.77 2.74 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.217 -179.629 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 19.0 p30 -92.31 155.42 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.91 120.43 32.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -129.18 54.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.7 mt -125.63 145.16 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.5 38.76 15.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.079 0.466 . . . . 0.0 110.713 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.33 22.78 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.526 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.31 26.81 2.49 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.018 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.55 130.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.7 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.26 -28.7 2.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.654 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.36 33.32 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.48 29.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -105.26 -174.29 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.57 130.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.36 34.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -43.92 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.76 107.15 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.57 119.48 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.38 -44.07 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.1 mm 59.41 98.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 66.08 -71.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -161.93 174.85 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.4 126.7 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.72 111.92 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 pp -57.31 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.65 107.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 81.41 -142.56 23.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.553 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 62.16 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' GLY . 2.8 tpm_? -106.97 22.52 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 179.359 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.18 -179.887 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.821 ' HG2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.567 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t 55.49 169.87 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.696 -178.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 104' ' ' LEU . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.436 ' CG2' ' HG ' ' A' ' 32' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.436 ' HE2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.452 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.728 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.504 HD21 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' B' ' 135' ' ' LEU . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.452 ' HG ' ' SD ' ' A' ' 8' ' ' MET . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 136' ' ' PHE . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' B' ' 136' ' ' PHE . 14.7 mt -77.38 -19.87 55.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.821 ' CE1' ' HG2' ' B' ' 101' ' ' MET . 0.8 OUTLIER -139.45 56.04 7.98 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 179.721 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.503 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 50.0 Cg_exo -52.63 -31.35 49.54 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.23 1.953 . . . . 0.0 112.141 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.47 90.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.91 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.57 10.82 2.06 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.824 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.56 -35.16 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.77 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.197 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.24 -26.49 64.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.7 -30.8 63.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.05 83.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -62.79 -20.68 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -89.38 -20.78 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.84 -8.14 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.281 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.78 -32.74 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.3 15.65 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.719 179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 26.6 m -105.39 28.2 7.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.805 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.33 117.98 22.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 mt -118.3 94.98 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -91.99 157.63 24.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.68 104.12 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -151.16 -72.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.14 98.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.92 65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.2 -30.58 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 115.66 -32.85 5.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 50.47 -166.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 111.226 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -173.67 68.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 97.62 -101.22 2.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -155.05 114.86 3.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.51 -179.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 34.8 m -139.32 36.84 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.6 p -61.28 131.65 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.2 25.84 11.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 11.4 p 178.94 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 26.3 t -127.78 158.79 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -83.11 166.53 44.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.651 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 42.57 54.96 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.983 0.42 . . . . 0.0 111.875 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.6 mm -109.31 114.7 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.001 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.93 -66.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' B' ' 176' ' ' GLU . 1.8 t0 -160.14 -153.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.91 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 175' ' ' ASP . 2.3 tt0 80.05 177.3 0.11 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -168.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.68 30.23 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 2.6 p -79.9 96.8 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 123.33 133.21 4.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.73 -37.85 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -144.33 26.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.181 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.56 ' HB2' ' HD1' ' B' ' 113' ' ' HIS . 67.0 p -121.91 89.36 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' CD ' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' CD1' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.401 ' HE1' ' CZ ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' NE2' ' CG ' ' B' ' 136' ' ' PHE . 5.9 mm100 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.883 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 t-160 -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.883 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB2' ' N ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' N ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 31' ' ' ALA . 7.3 mt -77.37 -18.44 57.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.461 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 6.6 m-85 -88.46 -50.42 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 96.9 Cg_endo -80.87 -166.51 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.758 2.305 . . . . 0.0 112.074 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.88 -82.87 1.67 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.73 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -89.69 147.82 23.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 -179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -71.91 -76.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.73 15.54 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm 63.01 133.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -62.74 171.51 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.7 132.02 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.82 31.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.562 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.64 166.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.21 39.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.76 -38.33 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.629 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t 75.42 138.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -58.8 127.21 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.88 178.39 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -167.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 60.6 t 58.85 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . 165.26 -175.4 41.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.542 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.14 -175.77 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 73' ' ' ILE . 22.8 mm -129.74 141.76 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.08 -81.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.53 170.76 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.61 64.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -82.45 -169.87 2.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -179.01 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -96.04 80.29 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.39 22.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.562 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.56 -49.72 51.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -98.03 -18.14 18.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.852 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.05 179.933 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 74.27 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' MET . . . . . 0.539 ' HB3' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' THR . . . . . 0.45 HG23 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.539 ' NE2' ' HB3' ' B' ' 108' ' ' MET . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' HIS . . . . . 0.823 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 14.3 t-160 -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.603 ' CD2' HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . 0.823 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.58 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' B' ' 116' ' ' LEU . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.447 ' CG ' ' HA ' ' B' ' 120' ' ' ALA . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' B' ' 136' ' ' PHE . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 16' ' ' LEU . 14.4 mt -70.63 -19.98 62.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 136' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.24 62.78 66.28 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.817 178.44 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 63.4 Cg_endo -92.25 164.23 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.614 2.209 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.84 76.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.11 -178.17 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.95 9.75 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.801 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.15 -54.3 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.54 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.04 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -69.25 -39.17 78.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.62 87.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -90.23 19.71 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.571 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -126.88 33.16 4.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.65 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.62 -29.91 69.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -31.12 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.536 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 1.3 m -153.68 91.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.9 ptp -87.16 103.1 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.14 -52.29 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 103.68 162.1 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.43 116.33 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 61.4 157.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 1.5 pp -59.53 95.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -65.8 169.61 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -159.61 66.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 85.29 -6.87 78.24 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.805 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.27 -20.21 58.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -158.74 36.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 80.54 56.97 3.02 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.613 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 69.49 -64.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.2 t 72.7 89.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.9 m -136.79 159.48 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.8 t -88.68 50.67 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -30.99 42.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.766 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.03 149.05 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 170' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' B' ' 171' ' ' GLY . 59.5 t 58.99 158.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' B' ' 170' ' ' VAL . . . 150.99 -45.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.03 145.92 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.61 110.9 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 -66.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 132.62 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.43 102.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.85 92.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 30.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.93 20.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.661 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -51.59 53.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -115.17 21.8 13.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.791 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.227 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD12 ' B' ' 106' ' ' ILE . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.696 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HB2' ' B' ' 102' ' ' SER . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.696 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.74 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.783 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 HG12 ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE2' HD13 ' A' ' 16' ' ' LEU . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.798 ' O ' HD21 ' B' ' 116' ' ' LEU . 19.7 mt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.488 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.892 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.915 HD12 HD12 ' A' ' 6' ' ' ILE . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.514 ' HE2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ASP . . . . . 0.402 ' N ' ' HB2' ' A' ' 2' ' ' SER . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.536 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 4.6 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.673 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.809 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.673 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.425 HG23 ' HB3' ' B' ' 128' ' ' LYS . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.603 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.726 HD21 HD21 ' A' ' 35' ' ' LEU . 15.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.028 0.442 . . . . 0.0 111.698 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.781 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.781 HD11 HD21 ' A' ' 4' ' ' LEU . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.663 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.693 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.693 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.839 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.676 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 18' ' ' ALA . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HD22 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 ' HB1' ' B' ' 131' ' ' ALA . 23.6 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.877 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.877 HD11 HD21 ' B' ' 104' ' ' LEU . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.588 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.639 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.93 ' CD1' HD11 ' B' ' 116' ' ' LEU . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.639 ' OH ' HD22 ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.851 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 132' ' ' LEU . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.85 ' HB3' HD22 ' A' ' 16' ' ' LEU . 83.1 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' B' ' 106' ' ' ILE . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.791 ' C ' HD13 ' A' ' 6' ' ' ILE . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 132' ' ' LEU . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.615 ' HE1' HD12 ' B' ' 135' ' ' LEU . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.594 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.5 OUTLIER -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.717 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.793 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 16' ' ' LEU . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 32' ' ' LEU . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.695 ' HB3' HD23 ' B' ' 135' ' ' LEU . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' B' ' 134' ' ' ARG . 53.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CE3' HD22 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.965 0.412 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.44 HD13 HG12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.416 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.666 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.544 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.493 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' B' ' 109' ' ' THR . 0.4 OUTLIER -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.754 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.764 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 1.003 HD12 ' N ' ' B' ' 117' ' ' LYS . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 1.003 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.764 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.427 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.804 ' HA ' HD22 ' A' ' 35' ' ' LEU . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.829 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 16' ' ' LEU . 22.5 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.494 HG23 ' OG1' ' B' ' 105' ' ' THR . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.798 HD11 HD21 ' A' ' 4' ' ' LEU . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.475 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 1.4 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.512 ' O ' HD23 ' A' ' 16' ' ' LEU . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.889 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.951 HD11 HD22 ' B' ' 104' ' ' LEU . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.831 ' OH ' HD21 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.009 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.511 ' O ' HD11 ' B' ' 116' ' ' LEU . 18.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.413 ' HD3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.951 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 32' ' ' LEU . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 32' ' ' LEU . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.668 ' CE ' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.819 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 119' ' ' LEU . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.44 ' HG3' ' HG3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.772 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.772 HD12 ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 1.009 HD22 ' HB1' ' A' ' 31' ' ' ALA . 11.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 6' ' ' ILE . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 HD11 ' B' ' 135' ' ' LEU . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.849 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.809 ' O ' HD23 ' A' ' 16' ' ' LEU . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.869 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.9 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.794 HD21 ' HG ' ' B' ' 135' ' ' LEU . 4.2 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 47' ' ' GLN . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.61 ' HB3' HD23 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.918 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.75 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.75 HD11 HD21 ' B' ' 104' ' ' LEU . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.416 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' B' ' 112' ' ' GLN . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.41 ' HG3' ' OG1' ' B' ' 109' ' ' THR . 0.0 OUTLIER -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.756 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.933 HD23 ' HZ1' ' B' ' 117' ' ' LYS . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.933 ' HZ1' HD23 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.625 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.835 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.515 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.912 ' HA ' HD12 ' B' ' 135' ' ' LEU . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.611 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' B' ' 132' ' ' LEU . 6.0 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' B' ' 105' ' ' THR . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.656 HD13 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HD2' ' B' ' 103' ' ' ARG . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.581 HD12 HD12 ' B' ' 106' ' ' ILE . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.644 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.531 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.464 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.843 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' B' ' 106' ' ' ILE . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' OH ' HD22 ' A' ' 19' ' ' LEU . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.843 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.8 HD22 ' HB1' ' B' ' 131' ' ' ALA . 4.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.432 ' HA ' HD12 ' A' ' 49' ' ' LEU . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 46' ' ' TRP . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.596 ' HD2' HG22 ' A' ' 5' ' ' THR . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.692 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.539 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.692 HG12 HD11 ' B' ' 104' ' ' LEU . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.428 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.585 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.5 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.495 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 119' ' ' LEU . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.67 HD12 ' CE2' ' B' ' 130' ' ' TYR . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.825 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.518 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.812 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' B' ' 116' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.644 HD12 ' CE ' ' A' ' 8' ' ' MET . 19.4 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.037 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.635 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' B' ' 132' ' ' LEU . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.927 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 12' ' ' GLN . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.3 mm-40 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.519 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.512 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.899 HD11 HD22 ' B' ' 104' ' ' LEU . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.898 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.102 ' HB2' HD11 ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' B' ' 116' ' ' LEU . 24.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.544 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.485 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 5' ' ' THR . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.927 HD23 ' HE3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.777 ' N ' HD12 ' B' ' 104' ' ' LEU . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 1.102 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.523 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.653 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.544 ' O ' HD13 ' B' ' 116' ' ' LEU . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.758 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.927 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.927 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 122' ' ' LEU . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.758 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 118' ' ' ALA . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' B' ' 125' ' ' LYS . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.519 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 4' ' ' LEU . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.577 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.898 HD22 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mt . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.031 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.878 ' OG1' HG23 ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.943 HD12 HD12 ' B' ' 106' ' ' ILE . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.504 ' O ' HD11 ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.637 ' HE1' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.677 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 28' ' ' LYS . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.88 ' CD1' HD11 ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' OH ' HD22 ' A' ' 19' ' ' LEU . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.007 HD22 ' HB1' ' B' ' 131' ' ' ALA . 3.9 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 44' ' ' GLN . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 41' ' ' ASP . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.434 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.914 HD12 ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.914 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.658 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.878 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.943 HD12 HD12 ' A' ' 6' ' ' ILE . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.738 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.572 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.964 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.964 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.434 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.579 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.494 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.811 ' CD1' HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.579 ' OH ' HD22 ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 1.007 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.669 ' O ' HD22 ' B' ' 135' ' ' LEU . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.806 ' HB3' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.596 ' SD ' HG22 ' A' ' 6' ' ' ILE . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.712 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.712 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.767 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.627 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.767 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HB3' HD23 ' B' ' 135' ' ' LEU . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' B' ' 134' ' ' ARG . 25.3 mt . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.459 0.015 0 CA-C-O 121.015 0.436 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.588 HD22 HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 6' ' ' ILE . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.476 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 1.3 t60 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.918 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.918 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.544 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.45 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.853 ' CD1' HD21 ' B' ' 116' ' ' LEU . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' B' ' 126' ' ' THR . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.841 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.801 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 34' ' ' ARG . 10.5 mt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.869 0.366 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' B' ' 107' ' ' ASP . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.818 HD11 ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.925 ' HE1' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 13' ' ' HIS . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.715 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 26' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.854 ' O ' HD21 ' B' ' 116' ' ' LEU . 40.9 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.864 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.864 HD11 HD21 ' B' ' 104' ' ' LEU . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 3' ' ' ARG . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.467 ' CE ' HG21 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.716 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 1.2 t-80 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.698 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.716 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.44 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.698 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.609 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.906 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.58 ' OH ' HD22 ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.906 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' B' ' 135' ' ' LEU . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.925 HD13 ' HE1' ' A' ' 8' ' ' MET . 11.7 mt . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.698 ' HB2' ' HD2' ' B' ' 113' ' ' HIS . 11.6 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.049 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.049 HD11 HD21 ' A' ' 4' ' ' LEU . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.829 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.022 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.813 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.733 HD21 HD21 ' B' ' 135' ' ' LEU . 10.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.582 ' HA ' HD13 ' A' ' 49' ' ' LEU . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 13' ' ' HIS . 44.2 p . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 6' ' ' ILE . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 0.9 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.698 ' HD2' ' HB2' ' A' ' 2' ' ' SER . 0.8 OUTLIER -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.735 HD22 ' C ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.735 ' N ' HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.49 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.53 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.431 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.696 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' OH ' HD22 ' B' ' 119' ' ' LEU . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.843 ' HA ' HD12 ' B' ' 135' ' ' LEU . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 132' ' ' LEU . 5.7 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.925 HD22 ' NZ ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 HD11 ' A' ' 4' ' ' LEU . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.558 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' CE2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.64 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.826 ' CE2' HD12 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.64 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.751 ' O ' HD11 ' B' ' 116' ' ' LEU . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' GLN . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' CB ' ' HA ' ' A' ' 40' ' ' ALA . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ASP . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.61 HG22 ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.61 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.535 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.535 ' HB2' HG23 ' B' ' 109' ' ' THR . 12.5 mm100 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.652 ' HA ' ' CE ' ' B' ' 117' ' ' LYS . 43.4 t60 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 35' ' ' LEU . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.969 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.64 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.454 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.936 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.649 ' HE2' HD13 ' B' ' 116' ' ' LEU . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.936 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.715 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.701 ' HB3' HD22 ' A' ' 16' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 127' ' ' ILE . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.629 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 25.9 t60 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.014 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.981 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.854 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.854 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' SD ' ' B' ' 108' ' ' MET . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HB3' HD23 ' B' ' 135' ' ' LEU . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.824 HD22 HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD12 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.652 0.263 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.908 HD22 ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.668 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 26.1 mm100 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.737 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.827 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.824 HD22 HD22 ' A' ' 35' ' ' LEU . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.783 ' HG2' HG21 ' B' ' 127' ' ' ILE . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.827 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.592 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.754 ' CB ' HD21 ' A' ' 35' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.824 ' O ' HD21 ' A' ' 16' ' ' LEU . 35.4 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HD2' ' B' ' 103' ' ' ARG . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.07 HD12 HD12 ' B' ' 106' ' ' ILE . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.489 ' HE2' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.672 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.672 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.692 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.3 t-80 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.815 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.735 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.903 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.773 HG13 ' HB2' ' A' ' 31' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.973 ' HG ' HD21 ' B' ' 135' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 1.07 HD12 HD12 ' A' ' 6' ' ' ILE . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.813 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' HB2' ' B' ' 112' ' ' GLN . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.438 ' HB2' HG23 ' B' ' 109' ' ' THR . 6.3 mm-40 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.686 ' HA ' HD23 ' B' ' 116' ' ' LEU . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HA ' HG13 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.409 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.758 HD11 HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.786 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.973 HD21 ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.921 0.391 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.804 HD12 HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.737 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.602 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.788 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HG2' HG21 ' A' ' 27' ' ' ILE . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.939 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.939 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.917 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.659 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HD22 ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 46' ' ' TRP . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.809 HD11 HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.809 HG13 HD11 ' B' ' 104' ' ' LEU . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.492 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.509 HG23 ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.509 ' CB ' HG23 ' B' ' 109' ' ' THR . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.709 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.748 HD11 HG13 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.444 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.818 HG13 ' HB2' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.654 ' OH ' HD22 ' B' ' 119' ' ' LEU . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.818 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 35' ' ' LEU . 27.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.586 ' N ' HD12 ' A' ' 4' ' ' LEU . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' B' ' 132' ' ' LEU . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.43 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.753 ' NE2' HD21 ' B' ' 132' ' ' LEU . 0.1 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.937 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.937 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.921 ' CD1' HD21 ' A' ' 16' ' ' LEU . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.586 ' O ' HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' B' ' 134' ' ' ARG . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' CE ' ' B' ' 108' ' ' MET . 17.3 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 134' ' ' ARG . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.586 HD11 ' O ' ' A' ' 28' ' ' LYS . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.671 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.721 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.721 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.499 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.78 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.78 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.973 ' HB2' HD11 ' A' ' 6' ' ' ILE . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.526 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.149 0 CA-C-O 120.976 0.417 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.585 ' CD ' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.925 HD11 HD21 ' A' ' 4' ' ' LEU . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.708 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD12 HD23 ' B' ' 135' ' ' LEU . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' B' ' 135' ' ' LEU . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' B' ' 135' ' ' LEU . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.759 ' O ' HD21 ' B' ' 116' ' ' LEU . 14.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.493 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.585 HG22 ' CD ' ' A' ' 3' ' ' ARG . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.566 ' SD ' HG23 ' B' ' 106' ' ' ILE . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.655 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.794 ' HA ' HD23 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.604 HD13 HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.803 ' CZ ' HD11 ' B' ' 119' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.736 ' HB1' HD13 ' A' ' 35' ' ' LEU . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.708 HD12 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG23 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.732 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.832 HG22 ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.832 ' HB2' HG22 ' A' ' 9' ' ' THR . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.443 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.031 HD11 HD22 ' B' ' 104' ' ' LEU . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' B' ' 106' ' ' ILE . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD13 ' SD ' ' B' ' 108' ' ' MET . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.719 ' HB3' HD22 ' B' ' 116' ' ' LEU . 42.3 mt . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CZ2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 1.031 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.945 HD11 HD21 ' B' ' 104' ' ' LEU . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.767 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.785 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 35' ' ' LEU . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.456 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.785 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.574 ' CE2' HD12 ' B' ' 116' ' ' LEU . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.567 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ARG . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.83 HD22 ' HB1' ' A' ' 31' ' ' ALA . 33.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD21 ' A' ' 4' ' ' LEU . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.787 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' H ' HG23 ' A' ' 9' ' ' THR . 1.7 tt0 -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.776 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD13 ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLN . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 22' ' ' LEU . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.966 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HB3' HG23 ' A' ' 26' ' ' THR . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.759 ' HE2' HD13 ' A' ' 16' ' ' LEU . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD21 ' B' ' 116' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.743 0.306 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.787 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.741 HD11 HD21 ' B' ' 104' ' ' LEU . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.62 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.694 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.599 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.636 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.599 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.712 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.712 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.417 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 34' ' ' ARG . 13.8 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.562 ' HD3' HG22 ' B' ' 105' ' ' THR . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.791 ' SD ' HD13 ' B' ' 132' ' ' LEU . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.848 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.924 HD21 HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.924 HD12 HD21 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 19' ' ' LEU . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.912 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.604 ' O ' HD21 ' B' ' 116' ' ' LEU . 39.7 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 111.726 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.67 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.562 HG22 ' HD3' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.67 HG12 HD11 ' B' ' 104' ' ' LEU . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.428 HG23 ' OE1' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.793 ' O ' HD12 ' B' ' 119' ' ' LEU . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.793 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 122' ' ' LEU . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.605 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.553 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.791 HD13 ' SD ' ' A' ' 8' ' ' MET . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.582 HD22 ' HB1' ' A' ' 31' ' ' ALA . 14.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.996 0.427 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.405 HG22 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 4' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CB ' ' CG2' ' A' ' 9' ' ' THR . 2.6 tt0 -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD12 ' A' ' 27' ' ' ILE . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.449 ' NE2' ' CE1' ' A' ' 30' ' ' TYR . 3.6 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.79 HD12 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CE1' ' NE2' ' A' ' 23' ' ' GLN . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.893 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 mt . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 45' ' ' ALA . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.917 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.917 HD11 HD21 ' B' ' 104' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.774 ' HE1' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.478 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.934 HD12 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.934 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.583 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 126' ' ' THR . . . . . 0.456 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.877 HG13 ' HB2' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.877 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.524 -0.023 0 CA-C-O 120.837 0.351 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 6' ' ' ILE . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 4' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.627 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.923 HG22 ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.923 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.579 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.765 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.805 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.945 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.539 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.698 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.865 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD11 ' O ' ' B' ' 107' ' ' ASP . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' B' ' 134' ' ' ARG . 83.3 mt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.572 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.572 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.733 ' O ' HD11 ' A' ' 32' ' ' LEU . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.59 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.72 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.622 HD13 ' HE2' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.72 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.51 ' HZ2' ' HA ' ' B' ' 128' ' ' LYS . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.622 ' HE2' HD13 ' B' ' 116' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 16' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 4' ' ' LEU . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 8' ' ' MET . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB2' ' N ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.614 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.648 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.857 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.735 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 18' ' ' ALA . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.026 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.524 HH21 HD13 ' A' ' 16' ' ' LEU . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.744 HD12 ' CE ' ' B' ' 108' ' ' MET . 4.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.68 HD11 ' CG1' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.68 ' CG1' HD11 ' B' ' 104' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.565 ' O ' HD11 ' A' ' 32' ' ' LEU . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.762 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.817 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.991 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.991 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.817 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.908 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 132' ' ' LEU . . . . . 0.577 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 134' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.809 ' HB3' HD22 ' A' ' 16' ' ' LEU . 14.7 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.665 ' HB2' ' HD2' ' B' ' 113' ' ' HIS . 67.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.955 0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 6' ' ' ILE . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.444 ' HA ' ' HG3' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' A' ' 9' ' ' THR . 29.7 mm-40 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 19' ' ' LEU . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.904 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD11 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' HD11 ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.766 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.726 HD22 ' HB1' ' B' ' 131' ' ' ALA . 7.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.813 ' HA ' HD23 ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.683 ' HD3' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 53' ' ' LEU . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 32' ' ' LEU . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 108' ' ' MET . . . . . 0.6 ' HE2' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.605 HG22 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.631 ' OE1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 113' ' ' HIS . . . . . 0.85 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 0.6 OUTLIER -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.873 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.903 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 117' ' ' LYS . . . . . 0.903 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.873 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.595 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 121' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.898 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 128' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.837 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 135' ' ' LEU . . . . . 0.893 ' HB3' HD23 ' A' ' 16' ' ' LEU . 14.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.713 0.292 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -78.67 74.54 5.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD12 ' B' ' 106' ' ' ILE . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.696 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HB2' ' B' ' 102' ' ' SER . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.696 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.4 tt0 -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.74 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.783 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD23 ' CE2' ' B' ' 136' ' ' PHE . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 HG12 ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE2' HD13 ' A' ' 16' ' ' LEU . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.798 ' O ' HD21 ' B' ' 116' ' ' LEU . 19.7 mt -78.36 -21.07 50.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.893 ' CE2' HD23 ' B' ' 116' ' ' LEU . 26.1 m-85 -121.73 47.96 1.49 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.224 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 89.4 Cg_endo -89.14 134.17 2.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.39 2.06 . . . . 0.0 112.253 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.51 88.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.734 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.5 149.13 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.488 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -44.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -126.36 102.92 7.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mt -110.25 -24.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 62.89 120.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.14 -18.39 60.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.68 -68.98 1.23 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.59 170.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.05 -43.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 -28.3 55.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt 64.49 131.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -148.31 35.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.6 m 62.28 121.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -176.04 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -37.26 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.2 0.58 3.29 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.644 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.59 134.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.89 125.9 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -146.03 162.32 38.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mm -109.56 109.44 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.42 178.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 49.8 67.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -177.39 121.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.03 108.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 79' ' ' SER . 0.9 OUTLIER -125.21 172.59 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -71.68 -178.51 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.51 -128.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.7 t0 66.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.759 0.314 . . . . 0.0 110.741 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -18.53 19.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.101 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.6 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -77.59 82.29 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.892 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.915 HD12 HD12 ' A' ' 6' ' ' ILE . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.514 ' HE2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . 0.402 ' N ' ' HB2' ' A' ' 2' ' ' SER . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.536 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 4.6 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.673 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.809 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.893 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.673 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.425 HG23 ' HB3' ' B' ' 128' ' ' LYS . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.603 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.726 HD21 HD21 ' A' ' 35' ' ' LEU . 15.5 mt -77.69 -24.51 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.802 ' CE2' HD23 ' A' ' 16' ' ' LEU . 3.8 m-85 -129.23 54.13 13.48 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.326 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 88.4 Cg_endo -88.83 104.38 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.637 2.225 . . . . 0.0 112.502 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.47 -150.83 19.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.586 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.48 105.0 13.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.319 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.08 -1.04 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.723 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.32 -49.08 65.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.96 70.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.7 22.51 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.07 -54.77 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.99 83.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -69.65 -19.55 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -27.36 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -120.96 -25.76 5.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.86 -30.3 70.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.901 0.382 . . . . 0.0 110.46 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 -27.28 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.564 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.75 95.05 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.3 ttp -94.83 121.32 36.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.416 ' H ' HD23 ' B' ' 153' ' ' LEU . 0.5 OUTLIER -80.0 -31.13 39.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.13 -147.89 18.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.07 31.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.92 175.73 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 5.3 pt -96.1 174.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -60.53 165.93 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -160.45 63.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.47 -54.04 0.68 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.3 tp 55.19 108.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.879 0.371 . . . . 0.0 111.389 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -166.77 53.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.51 1.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -159.29 124.4 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.21 124.09 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.1 m -70.48 98.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.534 ' HB ' HG12 ' B' ' 170' ' ' VAL . 0.3 OUTLIER -60.47 128.82 38.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.69 21.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 18.1 m -86.51 -72.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.534 HG12 ' HB ' ' B' ' 167' ' ' THR . 0.3 OUTLIER -46.3 146.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.616 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 121.11 -34.04 4.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.532 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.14 88.79 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.1 mm -119.85 149.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.09 173.01 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.1 136.75 58.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.81 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -155.39 178.5 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.11 -36.75 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.7 p -141.33 104.03 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 159.8 -112.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.6 t0 68.37 -68.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.593 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -125.28 22.9 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.644 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.224 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.755 0.312 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER 42.53 45.6 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.698 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.781 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.781 HD11 HD21 ' A' ' 4' ' ' LEU . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.663 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.693 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.693 ' CB ' HG23 ' A' ' 9' ' ' THR . 2.8 tt0 -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.839 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 18' ' ' ALA . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HD22 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 ' HB1' ' B' ' 131' ' ' ALA . 23.6 mt -77.17 -22.97 51.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.23 61.6 58.03 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.05 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HG2' ' B' ' 134' ' ' ARG . 88.1 Cg_endo -85.68 -47.21 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.682 2.254 . . . . 0.0 112.721 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.38 95.28 0.07 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.65 108.1 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 ' H ' ' B' ' 167' ' ' THR . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.48 -174.75 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -121.23 166.5 13.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 58' ' ' ASN . 9.7 tp -88.85 154.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 57' ' ' ILE . 4.6 t30 -155.54 131.9 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.81 157.47 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.7 64.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.15 117.91 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.72 -48.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.46 26.81 19.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.599 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG23 ' A' ' 65' ' ' VAL . 11.0 tppt? 65.48 -73.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 66' ' ' SER . 92.0 t -141.11 -96.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.53 ' N ' HG12 ' A' ' 65' ' ' VAL . 2.3 m -165.24 51.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER 62.07 -168.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' H ' HG22 ' A' ' 67' ' ' THR . 0.0 OUTLIER -52.09 -79.54 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 -163.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 70' ' ' VAL . 74.5 t 56.55 72.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.62 -168.0 0.91 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.818 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -136.32 121.64 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mm 61.95 115.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -105.62 145.32 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -11.97 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.445 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.2 -169.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.27 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -94.46 149.55 21.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 t -169.68 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 31.47 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.31 80.57 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.784 0.326 . . . . 0.0 110.718 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 61.59 22.16 12.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.24 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.21 80.56 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.877 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.877 HD11 HD21 ' B' ' 104' ' ' LEU . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.588 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.639 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.93 ' CD1' HD11 ' B' ' 116' ' ' LEU . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.639 ' OH ' HD22 ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.851 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 132' ' ' LEU . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.85 ' HB3' HD22 ' A' ' 16' ' ' LEU . 83.1 mt -77.22 -19.99 55.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.503 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 3.6 m-85 -133.15 55.33 16.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 89.7 Cg_endo -89.07 -49.4 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.715 2.277 . . . . 0.0 112.719 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.25 112.25 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.201 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.09 160.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.45 78.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -61.22 -38.81 87.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' B' ' 146' ' ' TRP . . . -68.77 -30.58 69.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.8 -27.08 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -108.29 -37.05 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.65 -58.56 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.413 ' CD1' ' HB1' ' B' ' 142' ' ' ALA . 83.2 m95 -67.9 -15.02 63.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 28.45 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.66 -41.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.71 -29.97 69.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -102.71 -2.75 27.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.429 HG23 ' CG1' ' B' ' 170' ' ' VAL . 52.2 m -68.96 -30.59 69.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -66.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -116.47 155.31 16.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.54 148.94 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.26 174.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.495 HG22 ' N ' ' B' ' 158' ' ' ASN . 24.7 mm -98.39 159.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.495 ' N ' HG22 ' B' ' 157' ' ' ILE . 5.0 m-20 -58.59 87.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.6 107.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -102.27 83.38 0.46 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.526 HD21 ' HE3' ' B' ' 164' ' ' LYS . 2.1 pp -61.54 -41.16 96.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 162' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 161' ' ' LEU . . . -176.84 42.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.69 83.3 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.412 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.526 ' HE3' HD21 ' B' ' 161' ' ' LEU . 13.6 mmmm -60.86 177.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.345 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.79 138.57 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 43.3 t -58.19 88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.501 ' H ' HG21 ' A' ' 51' ' ' THR . 19.2 m -60.89 -58.64 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 168' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 70' ' ' VAL . 6.3 tptp 61.07 85.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 169' ' ' SER . . . . . 0.44 ' OG ' HG22 ' B' ' 167' ' ' THR . 2.5 p -176.41 177.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.429 ' CG1' HG23 ' B' ' 151' ' ' THR . 54.7 t 59.17 156.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.406 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 122.39 165.69 12.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 172' ' ' GLU . . . . . 0.85 ' O ' HD13 ' B' ' 173' ' ' ILE . 0.0 OUTLIER -92.07 111.25 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.85 HD13 ' O ' ' B' ' 172' ' ' GLU . 12.6 mm -136.98 162.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.467 ' N ' HG22 ' B' ' 173' ' ' ILE . 3.3 mp -115.77 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 127.5 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -175.82 107.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.81 100.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.9 mp 66.58 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.251 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 21.0 p -77.08 119.79 21.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.34 35.85 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.677 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -49.54 62.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.951 0.405 . . . . 0.0 110.497 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 15.93 13.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.85 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.258 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.802 0.335 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' B' ' 106' ' ' ILE . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.791 ' C ' HD13 ' A' ' 6' ' ' ILE . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 132' ' ' LEU . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.615 ' HE1' HD12 ' B' ' 135' ' ' LEU . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.594 ' CB ' HG23 ' A' ' 9' ' ' THR . 4.7 tt0 -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.717 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.793 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 16' ' ' LEU . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 32' ' ' LEU . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.695 ' HB3' HD23 ' B' ' 135' ' ' LEU . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' B' ' 134' ' ' ARG . 53.4 mt -77.88 -19.76 54.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' CE2' HD23 ' B' ' 116' ' ' LEU . 72.2 m-85 -119.39 48.74 1.14 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.673 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 97.3 Cg_endo -85.65 -46.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.241 1.961 . . . . 0.0 112.633 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.26 -157.24 27.23 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.26 154.61 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CE3' HD22 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HA ' ' B' ' 149' ' ' LEU . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HG22 ' A' ' 73' ' ' ILE . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 40.6 m-20 -106.3 -178.0 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 41.04 -165.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.823 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 56' ' ' ARG . 1.2 pp -159.68 69.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' HB2' ' HD2' ' A' ' 56' ' ' ARG . 27.1 t30 -76.56 151.4 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.85 164.08 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -114.69 -14.99 8.32 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.682 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -71.16 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 111.586 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -177.12 37.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 0.0 111.236 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.03 -40.25 2.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.633 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 67.55 -69.46 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.2 154.11 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 t -138.42 78.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -18.79 12.85 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 118.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 p -158.96 -57.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' B' ' 150' ' ' LYS . 42.4 t 60.33 155.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.99 104.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.716 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.8 tp10 -166.63 140.77 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.053 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' B' ' 172' ' ' GLU . 0.1 OUTLIER -159.61 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -136.67 153.91 50.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.98 170.91 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 59.4 101.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.51 42.9 1.1 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 mt -60.07 -30.36 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 143.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.37 -51.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.62 ' CB ' HD21 ' B' ' 153' ' ' LEU . 0.6 OUTLIER -54.41 -36.43 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.963 0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HD2' ' HB ' ' B' ' 151' ' ' THR . 0.0 OUTLIER -109.92 -11.78 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.906 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.078 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.01 73.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.44 HD13 HG12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.416 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.666 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.544 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.493 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' B' ' 109' ' ' THR . 5.4 mt-30 -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.754 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.764 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 1.003 HD12 ' N ' ' B' ' 117' ' ' LYS . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 1.003 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.764 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.427 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.804 ' HA ' HD22 ' A' ' 35' ' ' LEU . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.829 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 16' ' ' LEU . 22.5 mt -77.26 -19.87 55.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 16' ' ' LEU . 1.9 m-85 -132.79 58.06 33.0 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.1 Cg_endo -93.18 111.38 0.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.817 2.344 . . . . 0.0 113.003 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' B' ' 146' ' ' TRP . . . 91.05 109.43 1.52 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.849 ' O ' ' HB3' ' B' ' 145' ' ' ALA . 11.9 t0 -160.25 170.8 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' B' ' 147' ' ' GLN . . . -102.29 41.08 1.26 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.469 1.128 . . . . 0.0 109.977 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 143' ' ' ASP . 1.1 m-20 -119.7 -52.37 2.23 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 102.155 -3.276 . . . . 0.0 102.155 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' B' ' 145' ' ' ALA . . . -62.07 80.78 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.246 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' ASP . . . . . 0.67 ' O ' ' C ' ' B' ' 144' ' ' GLN . 3.0 t70 62.15 43.24 8.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.146 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLN . . . . . 0.67 ' C ' ' O ' ' B' ' 143' ' ' ASP . 0.1 OUTLIER 38.63 33.92 0.08 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' B' ' 142' ' ' ALA . . . -40.83 -52.9 2.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.911 -176.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' B' ' 138' ' ' GLY . 18.3 m0 -87.87 13.35 10.97 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 112.907 -1.951 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLN . . . . . 0.571 ' HB2' ' HB1' ' B' ' 140' ' ' ALA . 0.0 OUTLIER -106.72 -19.9 13.51 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.696 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.829 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 4.7 tt0 -112.06 -7.64 14.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.694 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.594 ' HA ' HG21 ' A' ' 51' ' ' THR . 12.7 tp -70.96 -35.32 72.12 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.624 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -90.32 46.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 4.4 m 68.02 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.43 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' MET . . . . . 0.829 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 0.0 OUTLIER -168.38 100.65 0.43 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.232 -178.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -113.41 -175.61 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.88 30.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.561 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -113.0 -48.3 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' ARG . . . . . 0.449 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.2 OUTLIER 59.51 102.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.449 HD13 ' O ' ' B' ' 156' ' ' ARG . 25.8 mm -128.61 127.7 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.73 112.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -67.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 66.88 38.7 93.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 37.4 mt -110.84 26.86 10.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . 62.43 93.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 119.87 -25.26 7.62 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 67.33 162.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 4.1 m 42.13 92.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.863 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 12.6 t -119.13 -44.69 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -177.07 49.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 40.62 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 78.7 p -175.34 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.648 ' O ' HG13 ' B' ' 170' ' ' VAL . 12.4 p -54.46 99.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.7 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 58.98 -155.44 26.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.594 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -154.73 -168.3 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.478 HG22 ' N ' ' B' ' 174' ' ' LEU . 25.1 mm -98.16 159.34 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.599 ' N ' HD22 ' B' ' 174' ' ' LEU . 2.7 mm? -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.56 133.3 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 62.25 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.199 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.81 110.47 0.81 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.971 0.415 . . . . 0.0 111.091 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.88 136.06 33.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.47 153.04 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 182' ' ' ARG . . . -87.11 -114.61 1.0 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.29 -76.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' ARG . . . . . 0.491 ' HD3' HG11 ' B' ' 170' ' ' VAL . 2.3 tpm_? -103.0 37.28 2.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.254 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.787 0.327 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 91.06 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 HG23 ' OG1' ' B' ' 105' ' ' THR . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.798 HD11 HD21 ' A' ' 4' ' ' LEU . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.475 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 1.4 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' O ' HD23 ' A' ' 16' ' ' LEU . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.889 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.951 HD11 HD22 ' B' ' 104' ' ' LEU . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.831 ' OH ' HD21 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.009 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.511 ' O ' HD11 ' B' ' 116' ' ' LEU . 18.5 mt -77.67 -22.65 50.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CE1' HD23 ' B' ' 116' ' ' LEU . 7.8 m-85 -129.57 52.38 9.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 97.6 Cg_endo -90.05 139.21 3.05 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.538 2.159 . . . . 0.0 112.327 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.6 -77.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.66 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.56 156.05 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -132.66 60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -159.26 -172.89 3.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 tt -56.97 154.78 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -176.31 146.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 75.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.87 66.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.551 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 44.85 -165.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 111.36 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.37 -75.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' VAL . . . -138.42 19.87 3.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.405 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 65' ' ' VAL . 9.0 tppt? 60.28 -80.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 64' ' ' LYS . 7.8 m -107.46 171.56 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.834 0.35 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m 59.26 69.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -62.77 -38.81 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 108.32 19.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -149.09 -167.28 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t 47.33 93.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.29 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.76 165.65 10.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.52 94.39 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.7 mm 62.96 86.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 74' ' ' LEU . 2.7 mp -67.39 156.16 37.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.94 139.64 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.4 168.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.8 110.66 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.16 -65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 58.13 32.87 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.04 -103.35 0.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.06 -71.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.374 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -120.27 20.51 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.219 -179.904 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -86.61 54.62 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.413 ' HD3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.951 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 32' ' ' LEU . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 32' ' ' LEU . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.668 ' CE ' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.776 HD23 ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.819 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 119' ' ' LEU . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.44 ' HG3' ' HG3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.772 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.772 HD12 ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 1.009 HD22 ' HB1' ' A' ' 31' ' ' ALA . 11.8 mt -73.09 -25.29 60.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.84 66.31 76.09 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.498 ' HD3' ' HG2' ' A' ' 34' ' ' ARG . 39.4 Cg_exo -59.31 -63.9 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.084 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.81 176.19 29.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.35 160.08 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.74 66.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.07 -33.93 65.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.52 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -27.69 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -56.43 -41.0 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.65 75.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -89.18 8.53 29.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.35 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -10.82 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.66 -32.47 71.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.067 0.461 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -15.46 13.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.563 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.5 m -120.72 48.47 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.4 ttt -83.18 168.65 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.87 161.57 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -159.84 -52.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.591 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.73 -173.56 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -37.85 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.1 150.55 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -61.1 151.19 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -126.33 77.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.664 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 138.78 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.73 53.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 58.31 88.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.598 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 2.8 mmpt? -62.84 -44.07 97.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.051 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 165' ' ' VAL . 15.7 t 59.35 26.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.578 HG23 ' HD2' ' B' ' 168' ' ' LYS . 9.7 t -59.81 -179.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 168' ' ' LYS . . . . . 0.578 ' HD2' HG23 ' B' ' 167' ' ' THR . 0.0 OUTLIER 62.27 117.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 -41.23 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.479 HG12 ' N ' ' B' ' 171' ' ' GLY . 21.6 t -118.38 159.1 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.479 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 108.52 59.86 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 -68.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.35 150.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.92 -62.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.88 124.05 19.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 58.48 72.36 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.39 65.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.82 149.53 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.85 30.51 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -168.91 -105.16 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 66.66 -70.48 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.29 14.32 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.027 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.2 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.8 0.334 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER -77.51 84.63 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 6' ' ' ILE . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 HD11 ' B' ' 135' ' ' LEU . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.849 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.809 ' O ' HD23 ' A' ' 16' ' ' LEU . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.869 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.9 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.794 HD21 ' HG ' ' B' ' 135' ' ' LEU . 4.2 mt -77.54 -19.83 55.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' B' ' 112' ' ' GLN . 9.6 m-85 -131.43 57.34 30.3 Favored Pre-proline 0 N--CA 1.454 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.172 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 90.0 Cg_endo -90.19 43.26 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.686 2.257 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 154.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.631 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.04 153.38 46.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 47' ' ' GLN . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.61 ' HB3' HD23 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.662 HG23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -152.29 -45.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.99 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.034 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mt 58.83 75.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.05 118.03 34.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.47 119.32 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.87 -80.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.571 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 tp 51.22 67.42 0.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.863 0.363 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.1 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.91 27.94 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 56.44 83.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 66' ' ' SER . 27.9 t 60.91 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.487 ' N ' HG12 ' A' ' 65' ' ' VAL . 2.2 t -111.91 139.86 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 t -177.57 135.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 132.81 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.082 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 58.68 169.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.662 HG13 HG23 ' A' ' 51' ' ' THR . 28.2 t -153.92 144.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.19 -148.82 19.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 73' ' ' ILE . 12.5 mt-10 -112.53 28.0 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.638 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -130.68 115.2 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.71 163.67 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.47 -35.89 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.59 143.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.43 111.66 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 79' ' ' SER . 1.1 pp -170.76 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -151.72 119.55 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.31 145.68 6.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -40.13 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 110.756 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -108.73 -19.49 13.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.905 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.071 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -103.18 85.06 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.75 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.75 HD11 HD21 ' B' ' 104' ' ' LEU . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.416 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' B' ' 112' ' ' GLN . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 3.9 mm-40 -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.756 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.933 HD23 ' HZ1' ' B' ' 117' ' ' LYS . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.933 ' HZ1' HD23 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.625 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.835 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.515 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.912 ' HA ' HD12 ' B' ' 135' ' ' LEU . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.611 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' B' ' 132' ' ' LEU . 6.0 mt -77.01 -19.97 56.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.555 ' CZ ' HD23 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -132.97 61.86 58.66 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 7.2 Cg_exo -72.62 -160.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.549 2.166 . . . . 0.0 112.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.56 158.4 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.734 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.12 106.78 3.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.752 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -84.21 6.37 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.33 -32.23 66.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.59 70.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -56.9 -29.42 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -100.03 -54.57 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.1 -71.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.034 0.445 . . . . 0.0 111.548 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -48.74 65.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.478 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -57.12 -22.44 39.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.679 ' OE2' HG21 ' B' ' 151' ' ' THR . 6.5 tp10 -95.64 -8.49 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.292 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -29.98 69.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -24.77 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.679 HG21 ' OE2' ' B' ' 148' ' ' GLU . 89.1 m -61.4 -31.86 71.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.8 ttt -125.12 112.85 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.603 HD22 ' OD1' ' B' ' 158' ' ' ASN . 29.7 mt -110.39 175.61 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -137.1 -123.62 2.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -120.7 -52.44 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -107.16 148.83 28.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.93 138.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.603 ' OD1' HD22 ' B' ' 153' ' ' LEU . 0.5 OUTLIER -176.39 84.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.19 127.31 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -168.71 39.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.23 78.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.25 75.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 60.33 -102.09 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.298 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -156.74 -48.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.769 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 165' ' ' VAL . 3.0 p 42.28 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.615 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.8 p -121.51 66.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.1 p -61.45 -70.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -179.55 4.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 15.5 m -100.76 145.11 28.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.588 HG13 ' O ' ' B' ' 151' ' ' THR . 38.8 t -74.86 144.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.66 113.91 0.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.624 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.64 176.26 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm 63.99 95.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.12 164.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.89 150.05 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.74 -68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.87 -169.39 0.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.93 168.42 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 75.2 m -150.07 130.68 13.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.36 -39.86 2.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.565 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -34.95 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.356 . . . . 0.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -17.53 13.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.99 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.09 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 24.72 7.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' B' ' 105' ' ' THR . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 HD13 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HD2' ' B' ' 103' ' ' ARG . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 HD12 HD12 ' B' ' 106' ' ' ILE . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.745 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.531 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.464 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.843 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' B' ' 106' ' ' ILE . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' OH ' HD22 ' A' ' 19' ' ' LEU . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.843 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.8 HD22 ' HB1' ' B' ' 131' ' ' ALA . 4.1 mt -77.61 -20.01 54.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 7.3 m-85 -130.63 55.69 20.4 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.275 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.7 Cg_endo -86.88 -41.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.608 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.01 161.34 20.83 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.418 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.23 27.54 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.432 ' HA ' HD12 ' A' ' 49' ' ' LEU . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 46' ' ' TRP . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -109.18 30.45 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 90.06 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.643 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -102.19 49.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -57.57 -49.38 76.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -163.73 -71.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 86.26 -53.22 4.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.714 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tp 63.4 -69.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.593 0.235 . . . . 0.0 111.478 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -175.57 -51.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.98 55.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 65' ' ' VAL . 13.2 mmmm -59.92 -67.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.5 m -155.71 102.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -164.31 176.27 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 67' ' ' THR . 8.5 m -164.69 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 -174.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -144.89 -178.8 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.01 135.3 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.39 -157.21 15.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -148.07 34.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 74' ' ' LEU . 23.4 mm -123.07 159.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 73' ' ' ILE . 2.7 mp -61.68 151.69 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -39.03 84.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.25 99.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -152.86 -178.48 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 118.44 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 m 60.14 43.87 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.48 121.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.76 -32.83 73.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -19.34 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.287 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.104 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.876 0.369 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -121.38 82.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.596 ' HD2' HG22 ' A' ' 5' ' ' THR . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.692 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.539 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.692 HG12 HD11 ' B' ' 104' ' ' LEU . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.428 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.585 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.463 ' OG1' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 3.6 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.495 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 119' ' ' LEU . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.67 HD12 ' CE2' ' B' ' 130' ' ' TYR . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.825 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.518 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.812 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' B' ' 116' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.745 HD12 ' HE1' ' A' ' 8' ' ' MET . 19.4 mt -77.1 -23.95 51.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.463 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -128.02 56.74 22.39 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.121 179.111 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 91.5 Cg_endo -88.72 97.16 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.446 2.097 . . . . 0.0 112.484 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.62 58.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -159.44 153.34 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -142.19 11.31 1.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.733 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.12 -53.43 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.84 29.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.1 -2.55 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -119.32 -2.2 10.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.523 0.201 . . . . 0.0 111.541 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.72 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.793 0.33 . . . . 0.0 111.289 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' B' ' 149' ' ' LEU . 58.7 m95 -88.98 -20.64 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.356 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -24.22 66.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.59 -29.06 21.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' B' ' 146' ' ' TRP . 17.1 mt -60.68 -30.07 69.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -105.95 -29.3 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.847 HG23 HG23 ' B' ' 170' ' ' VAL . 20.8 m -158.47 94.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 87.93 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.671 ' HG ' HG22 ' B' ' 151' ' ' THR . 49.1 mt -94.19 -67.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 132.63 -119.34 2.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.568 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.24 -176.79 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.28 123.49 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.495 HG23 ' N ' ' B' ' 158' ' ' ASN . 2.5 tt -162.04 -46.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.495 ' N ' HG23 ' B' ' 157' ' ' ILE . 0.6 OUTLIER -86.25 128.33 34.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.73 166.14 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -88.89 -64.18 1.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 11.2 mt -157.82 -60.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.04 37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.25 17.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -61.23 171.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.28 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -79.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.3 m 54.89 65.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.68 178.69 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 89.0 p -102.01 173.12 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.847 HG23 HG23 ' B' ' 151' ' ' THR . 25.9 t -130.93 92.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.69 69.3 1.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.57 -173.07 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 24.3 mm -85.92 143.3 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.467 ' H ' HD23 ' B' ' 174' ' ' LEU . 1.1 pt? -111.54 -178.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 34.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.21 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -157.2 175.5 13.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.29 166.04 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 11.8 t 61.43 152.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 155.12 42.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.68 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.66 -44.79 85.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -109.33 -17.34 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.849 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -71.76 74.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.037 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.635 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' B' ' 132' ' ' LEU . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.712 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 12' ' ' GLN . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.3 mm-40 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.519 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.512 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.899 HD11 HD22 ' B' ' 104' ' ' LEU . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.898 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.102 ' HB2' HD11 ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' B' ' 116' ' ' LEU . 24.2 mt -77.63 -21.46 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 3.5 m-85 -133.91 54.6 12.82 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.312 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 84.6 Cg_endo -90.45 59.56 1.53 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.32 70.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -160.0 104.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.544 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.485 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.32 165.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -77.52 -28.7 52.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.79 101.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.27 103.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.35 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.83 25.21 28.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 113.11 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.21 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.95 -53.01 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.16 104.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 65' ' ' VAL . 12.5 p -155.88 48.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.84 98.02 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 m -59.94 105.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 103.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.02 -47.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 50' ' ' LYS . 21.6 t -119.17 110.19 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.72 65.28 1.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.603 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -144.5 -57.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.1 mm -120.53 112.0 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.29 -68.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -77.92 -166.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -150.25 23.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -79.84 -165.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pp -112.35 -36.01 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -164.43 96.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -131.36 5.18 5.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.53 80.4 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.805 0.336 . . . . 0.0 110.706 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 24.36 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.733 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.145 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.84 0.352 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.56 88.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 5' ' ' THR . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.777 ' N ' HD12 ' B' ' 104' ' ' LEU . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 1.102 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.523 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.959 HE22 HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.544 ' O ' HD13 ' B' ' 116' ' ' LEU . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.758 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.927 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.927 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 122' ' ' LEU . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.758 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 118' ' ' ALA . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' B' ' 125' ' ' LYS . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.519 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 4' ' ' LEU . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.577 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.898 HD22 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mt -75.87 -23.79 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.479 ' CZ ' ' HG ' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.88 60.84 55.92 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.891 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 97.2 Cg_endo -89.23 90.91 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.658 2.239 . . . . 0.0 112.478 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.5 -32.79 2.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.87 177.66 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.58 9.69 2.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.648 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -31.1 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.78 80.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.38 -44.53 95.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -73.68 -26.83 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -53.8 -54.29 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 111.31 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.434 ' HA ' ' CD2' ' B' ' 149' ' ' LEU . 80.3 m95 -66.18 -16.1 63.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.328 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -103.31 -5.48 22.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.28 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 151' ' ' THR . 2.1 mt-10 -113.85 -19.74 11.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.205 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.898 HD12 ' N ' ' B' ' 150' ' ' LYS . 3.3 pp -60.44 -29.65 69.15 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LYS . . . . . 0.898 ' N ' HD12 ' B' ' 149' ' ' LEU . 3.7 ptmt -95.28 -23.45 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.072 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' B' ' 148' ' ' GLU . 16.9 m -83.48 73.39 10.19 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.14 112.25 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.56 106.34 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.46 -65.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.555 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -85.56 108.12 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -143.72 153.3 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.539 HD13 ' N ' ' B' ' 157' ' ' ILE . 0.2 OUTLIER -48.76 -34.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.431 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.4 168.08 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -159.85 68.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -155.3 24.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.608 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -179.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.38 -74.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -123.42 74.45 0.39 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 59.94 -176.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.51 139.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.05 66.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.6 m -165.29 -42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -56.31 -44.23 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.96 -65.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 23.6 t -56.36 138.15 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 75.15 30.8 58.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -134.65 91.59 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -119.25 145.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.09 -32.25 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.62 159.45 35.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.76 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.39 99.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.493 HD13 ' O ' ' B' ' 180' ' ' GLY . 1.1 pp -119.36 -17.72 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.459 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 180' ' ' GLY . . . . . 0.493 ' O ' HD13 ' B' ' 178' ' ' LEU . . . -87.23 -134.7 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.479 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.6 -72.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.527 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -117.75 22.87 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.138 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER -75.4 85.06 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.878 ' OG1' HG23 ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.943 HD12 HD12 ' B' ' 106' ' ' ILE . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' O ' HD11 ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.637 ' HE1' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.677 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 28' ' ' LYS . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.88 ' CD1' HD11 ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' OH ' HD22 ' A' ' 19' ' ' LEU . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.007 HD22 ' HB1' ' B' ' 131' ' ' ALA . 3.9 mt -72.83 -19.94 61.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.737 ' CE2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.71 65.03 69.97 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.48 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -93.15 -175.53 0.52 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.082 2.521 . . . . 0.0 112.752 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.41 -52.57 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.094 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 44' ' ' GLN . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 41' ' ' ASP . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.914 HD12 ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.914 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -154.71 125.03 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -157.72 -67.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm 62.29 117.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -63.96 -58.49 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.18 -76.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.77 -58.24 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.57 100.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.91 61.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.8 -28.41 15.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 162' ' ' ALA . 24.7 mmmt 62.92 71.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 HD22 ' B' ' 158' ' ' ASN . 26.8 m -84.48 -178.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 99.61 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.2 32.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 146.4 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -122.05 173.6 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 71' ' ' GLY . 21.7 t -131.09 159.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -56.76 -46.2 90.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.717 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.604 ' O ' HD13 ' A' ' 73' ' ' ILE . 5.3 tt0 -149.24 154.12 38.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 83' ' ' ALA . 21.8 mm -125.62 131.32 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' C ' HD12 ' A' ' 74' ' ' LEU . 3.7 pp -163.49 165.84 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 49.83 77.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.345 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.67 81.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.47 -33.0 48.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -94.28 151.17 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.67 24.15 9.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.641 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.65 -33.48 70.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.888 0.375 . . . . 0.0 110.733 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.04 24.81 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.773 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB3' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.926 0.393 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.21 76.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.658 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.878 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.943 HD12 HD12 ' A' ' 6' ' ' ILE . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.738 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.572 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.964 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.964 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.434 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.579 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.494 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.811 ' CD1' HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.579 ' OH ' HD22 ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 1.007 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.669 ' O ' HD22 ' B' ' 135' ' ' LEU . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.806 ' HB3' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.47 -33.45 69.77 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.619 ' CD1' ' HB2' ' B' ' 135' ' ' LEU . 0.1 OUTLIER -131.81 76.37 74.35 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.699 178.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.97 -56.86 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.801 2.334 . . . . 0.0 112.293 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.06 159.58 53.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.556 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.45 174.04 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.43 10.05 2.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.795 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.3 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.83 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.37 -20.92 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -50.38 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.77 0.319 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.7 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.352 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -21.65 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.77 -21.26 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -105.85 -11.49 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.311 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -31.17 70.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.66 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -29.41 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 64.7 m -156.62 99.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -34.45 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.0 129.92 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 95.13 63.42 0.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.49 71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -145.27 19.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 25.8 mm 56.61 105.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.0 111.282 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.492 HD22 HG22 ' A' ' 65' ' ' VAL . 5.9 t30 -174.64 77.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -63.83 102.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -112.7 -82.73 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 161' ' ' LEU . 1.0 OUTLIER 50.98 76.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.195 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 64' ' ' LYS . . . -86.18 -60.37 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -162.49 29.38 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.184 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 60.75 31.09 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.94 156.89 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.2 m 59.97 161.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -177.0 141.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -71.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.6 p -175.76 166.92 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.827 HG11 HD11 ' B' ' 174' ' ' LEU . 4.0 t -109.79 163.17 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.467 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -58.25 -108.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.602 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.45 -77.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.73 140.19 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.827 HD11 HG11 ' B' ' 170' ' ' VAL . 3.7 mm? -110.58 -34.64 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.49 69.79 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.0 158.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.47 67.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.7 129.25 54.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 -62.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -112.82 -127.22 4.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.585 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.75 -75.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.819 0.342 . . . . 0.0 110.677 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.05 -17.55 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.119 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.22 83.02 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 135' ' ' LEU . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.712 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.712 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.767 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.627 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.767 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HB3' HD23 ' B' ' 135' ' ' LEU . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' B' ' 134' ' ' ARG . 25.3 mt -71.31 -19.21 62.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.681 ' HZ ' HD12 ' B' ' 116' ' ' LEU . 19.2 m-85 -122.95 61.75 17.56 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.055 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 23.2 Cg_exo -63.54 -66.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.253 1.969 . . . . 0.0 112.148 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.28 -92.18 0.41 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.605 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -113.05 158.06 20.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 60.97 31.29 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -128.02 -48.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.82 -24.59 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -169.27 175.92 5.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.47 95.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.57 84.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.19 143.38 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.31 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.51 -59.78 2.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 65' ' ' VAL . 3.4 tppp? 62.25 117.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.346 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' A' ' 64' ' ' LYS . 26.7 t 64.85 70.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 71.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -61.09 -27.43 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 40.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -145.3 -47.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' B' ' 164' ' ' LYS . 21.6 t -134.31 86.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -131.89 -105.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -109.29 146.73 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.412 ' HA ' HD22 ' B' ' 161' ' ' LEU . 29.3 mm -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -178.05 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.15 172.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -160.88 27.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 78' ' ' LEU . 1.2 pt-20 -119.36 138.26 53.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD12 ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 63.07 149.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.774 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -134.36 119.73 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.01 23.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.94 68.8 0.61 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 64.38 26.88 13.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.197 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.14 67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.588 HD22 HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 6' ' ' ILE . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.476 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.527 HE22 HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 1.3 t60 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.918 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.918 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.544 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.45 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.853 ' CD1' HD21 ' B' ' 116' ' ' LEU . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' B' ' 126' ' ' THR . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.841 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.496 HD12 ' HE2' ' B' ' 136' ' ' PHE . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.801 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 34' ' ' ARG . 10.5 mt -73.53 -19.74 60.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.496 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -132.77 60.49 50.39 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.348 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.461 ' HG3' ' O ' ' B' ' 134' ' ' ARG . 20.6 Cg_endo -87.38 -55.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.492 2.128 . . . . 0.0 112.274 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.51 -160.34 13.21 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.608 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -91.32 133.74 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.83 -26.75 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.95 -63.72 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.54 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.04 -31.19 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -26.49 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.38 71.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.218 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.691 ' HA ' HD12 ' B' ' 149' ' ' LEU . 89.4 m95 -66.55 -22.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -85.52 -3.11 58.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.28 -2.82 13.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.362 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' B' ' 146' ' ' TRP . 1.5 mt -60.83 -31.99 71.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.937 0.399 . . . . 0.0 110.468 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.75 -24.17 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.689 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 170' ' ' VAL . 86.7 m -56.76 -39.55 74.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 47.2 ttp -118.99 164.93 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 152.19 41.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -81.27 142.15 22.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -139.12 -45.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' ARG . . . . . 0.717 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.0 OUTLIER 63.8 16.18 9.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.275 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.717 HD13 ' O ' ' B' ' 156' ' ' ARG . 16.5 mm -143.63 16.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.359 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 174.79 111.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.07 -26.07 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 123.32 -48.01 0.98 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -64.66 150.5 47.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 162' ' ' ALA . . . . . 0.409 ' N ' HD23 ' B' ' 161' ' ' LEU . . . -175.54 -60.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -104.29 -104.14 2.89 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.173 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.581 ' HD2' HG13 ' A' ' 70' ' ' VAL . 13.9 tppt? -178.6 153.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.468 HG12 ' N ' ' B' ' 166' ' ' SER . 3.6 t 66.17 164.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 166' ' ' SER . . . . . 0.468 ' N ' HG12 ' B' ' 165' ' ' VAL . 2.3 p 73.75 145.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.8 m 63.89 129.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.75 19.41 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.244 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.3 m 55.35 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.066 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.634 HG21 ' HB3' ' B' ' 182' ' ' ARG . 53.1 t 59.89 156.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.406 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 176.21 128.67 1.14 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.41 172.2 13.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.27 148.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' B' ' 174' ' ' LEU . 12.0 tp 70.58 -62.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.6 t70 54.26 30.97 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.42 -30.51 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.5 107.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.7 38.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.2 m -107.74 -67.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.63 -95.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 53.25 76.64 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.813 0.339 . . . . 0.0 110.51 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' ARG . . . . . 0.634 ' HB3' HG21 ' B' ' 170' ' ' VAL . 2.0 mmp_? 61.33 24.34 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.163 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.34 70.76 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' B' ' 107' ' ' ASP . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.818 HD11 ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.925 ' HE1' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD22 ' CE1' ' B' ' 136' ' ' PHE . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.715 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 26' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.854 ' O ' HD21 ' B' ' 116' ' ' LEU . 40.9 mt -77.2 -17.34 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.3 m-30 -87.39 -39.17 0.5 Allowed Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 36' ' ' PHE . 38.3 Cg_endo -68.41 -88.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.392 2.062 . . . . 0.0 113.209 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' B' ' 134' ' ' ARG . . . -162.1 170.34 37.72 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.024 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 -98.07 -176.73 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' B' ' 142' ' ' ALA . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.02 133.72 51.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.47 110.96 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.99 -33.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -176.8 86.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.82 70.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 141.38 -34.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.35 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.594 0.235 . . . . 0.0 111.505 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -178.02 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.034 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.04 -49.24 3.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -176.45 155.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.84 151.47 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 111.72 5.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -60.09 -21.22 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -56.26 122.01 10.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.19 -36.0 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.69 142.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.48 56.97 5.27 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.749 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -88.3 54.02 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.855 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.749 HD13 ' O ' ' A' ' 72' ' ' GLU . 24.0 mm -135.74 154.12 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 73' ' ' ILE . 3.1 mm? -109.69 -43.46 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -61.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.06 65.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.53 40.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.43 154.09 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -113.55 -35.12 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.77 -22.29 53.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.22 87.4 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.812 0.339 . . . . 0.0 110.484 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 62.13 21.42 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.163 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m -121.1 101.52 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.864 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.864 HD11 HD21 ' B' ' 104' ' ' LEU . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 3' ' ' ARG . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.467 ' CE ' HG21 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.43 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 6.6 mm-40 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.716 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 1.2 t-80 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.698 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.716 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.44 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.698 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.609 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.906 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.58 ' OH ' HD22 ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.906 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' B' ' 135' ' ' LEU . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.925 HD13 ' HE1' ' A' ' 8' ' ' MET . 11.7 mt -70.64 -30.96 67.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.657 ' CE1' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -131.87 66.94 78.93 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.974 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.426 ' CG ' ' HG2' ' A' ' 34' ' ' ARG . 83.2 Cg_endo -92.02 -166.44 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.912 2.408 . . . . 0.0 112.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 131.11 87.2 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.789 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 115.0 2.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.73 -13.92 62.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -33.78 71.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . . . -57.68 -41.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.236 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -32.04 73.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -67.51 -27.21 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.08 -51.11 69.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.727 ' CE3' HD13 ' B' ' 149' ' ' LEU . 80.7 m95 -69.37 -19.88 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.44 -20.72 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.197 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.13 -6.26 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.337 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.727 HD13 ' CE3' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -33.23 72.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.384 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 14.87 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.586 ' O ' HG22 ' B' ' 151' ' ' THR . 29.9 m -103.2 27.87 6.84 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -168.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.0 156.57 35.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -172.36 -120.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -164.42 -67.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.88 95.28 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.502 ' O ' HG23 ' B' ' 157' ' ' ILE . 1.3 tp -62.18 120.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -176.94 122.57 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.0 130.16 45.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -74.45 -27.54 65.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.476 ' C ' HD23 ' B' ' 161' ' ' LEU . 8.5 tt -160.98 -65.25 0.06 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.53 -60.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -107.64 53.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -61.31 158.4 14.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.52 149.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.59 -76.24 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.217 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 69.5 m 64.05 99.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.16 -43.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 13.5 m 63.29 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 170' ' ' VAL . 21.3 t -144.62 55.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 69.02 143.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.619 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -104.44 -16.52 15.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 111.178 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.12 148.46 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.452 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 4.8 mt -84.09 174.32 10.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.93 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.12 17.81 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.33 101.46 6.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 15.4 mt 61.13 -175.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -57.38 -62.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 74.67 125.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.82 -49.84 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -19.46 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.087 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.89 0.376 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.698 ' HB2' ' HD2' ' B' ' 113' ' ' HIS . 11.6 p -101.44 95.32 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.049 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.049 HD11 HD21 ' A' ' 4' ' ' LEU . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.829 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' NE2' ' CZ ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.022 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.813 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.878 HD21 HE22 ' B' ' 112' ' ' GLN . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.733 HD21 HD21 ' B' ' 135' ' ' LEU . 10.1 mt -77.02 -20.79 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 6.1 m-85 -89.75 -52.75 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 73.7 Cg_endo -76.89 -178.99 4.97 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.605 2.203 . . . . 0.0 112.604 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.83 70.73 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.03 142.75 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.582 ' HA ' HD13 ' A' ' 49' ' ' LEU . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 HG22 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.42 100.31 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -106.55 -29.38 9.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 7.8 tp -57.93 123.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.63 -164.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.767 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -54.1 -31.23 51.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.57 39.15 90.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.55 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.64 -64.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.75 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.6 98.2 1.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.03 137.07 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.22 151.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t 70.11 -63.99 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.53 131.12 21.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -178.28 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -158.54 -75.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 71' ' ' GLY . 18.3 t -140.94 160.03 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.479 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -123.29 120.88 4.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.88 -34.46 16.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.6 mm -108.4 148.34 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -161.9 -60.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -162.88 -61.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.07 -75.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -85.81 112.06 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -108.35 149.06 29.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.85 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.45 -132.75 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.559 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 62.67 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 110.669 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.87 -16.99 27.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.945 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.09 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 13' ' ' HIS . 44.2 p -108.31 91.87 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 6' ' ' ILE . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.878 HE22 HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.698 ' HD2' ' HB2' ' A' ' 2' ' ' SER . 0.8 OUTLIER -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.735 HD22 ' C ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.735 ' N ' HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.49 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.53 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.431 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.696 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' OH ' HD22 ' B' ' 119' ' ' LEU . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.843 ' HA ' HD12 ' B' ' 135' ' ' LEU . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 132' ' ' LEU . 5.7 mt -77.21 -21.76 53.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.556 ' CZ ' HD13 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.94 62.39 65.25 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -85.18 -46.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.751 2.301 . . . . 0.0 112.535 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.81 -153.26 11.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.38 -175.46 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.24 6.92 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.622 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -30.83 66.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.38 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.6 -29.76 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.67 -43.34 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.9 87.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.234 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -23.74 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.289 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -62.7 -21.19 65.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 2.2 mt-10 -93.54 -29.36 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.92 -33.26 72.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' B' ' 151' ' ' THR . 0.0 OUTLIER -94.59 48.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 7.4 m 70.9 125.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.988 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 4.3 tpt -124.66 109.02 12.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.894 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.21 131.06 55.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 179.35 64.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.83 153.06 27.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.753 0.311 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -150.04 120.98 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.492 HG22 ' N ' ' B' ' 158' ' ' ASN . 4.7 mt 63.01 158.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.492 ' N ' HG22 ' B' ' 157' ' ' ILE . 94.2 m-20 -57.08 154.33 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -59.43 -48.57 81.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 59.14 31.17 68.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.864 HD13 HG21 ' B' ' 165' ' ' VAL . 0.2 OUTLIER -165.91 -52.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.41 -57.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.34 -42.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER -177.59 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.631 0.253 . . . . 0.0 111.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.864 HG21 HD13 ' B' ' 161' ' ' LEU . 35.0 m 44.82 46.36 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.976 0.417 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 11.5 m -108.71 -177.55 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 12.0 t -56.92 164.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -55.49 126.33 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 82.6 p -154.39 161.16 41.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 53.4 t 59.32 155.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -82.54 132.12 10.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 -177.8 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 20.6 mm -100.76 150.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.62 -164.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.38 85.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.74 -30.3 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -156.97 147.12 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 10.7 mt 61.81 115.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 22.5 p -71.35 -31.03 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.2 -118.18 4.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.48 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -94.98 -17.94 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.014 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.084 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.728 0.299 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.43 64.51 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.925 HD22 ' NZ ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 HD11 ' A' ' 4' ' ' LEU . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.558 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' CE2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.64 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.826 ' CE2' HD12 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.64 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.751 ' O ' HD11 ' B' ' 116' ' ' LEU . 42.3 mt -79.71 -25.79 41.06 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 1.6 m-30 -97.12 5.14 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 66.0 Cg_endo -89.0 175.93 3.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.027 1.818 . . . . 0.0 112.563 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.22 -62.51 1.28 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.243 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -154.81 101.9 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' GLN . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' CB ' ' HA ' ' A' ' 40' ' ' ALA . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ASP . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -136.59 145.69 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -138.14 129.92 28.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.37 101.25 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.48 178.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.1 85.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.26 93.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 132.62 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.32 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.57 25.45 7.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' HG22 ' A' ' 65' ' ' VAL . 14.2 mmmt -84.05 -39.07 20.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 64' ' ' LYS . 35.9 m 43.05 44.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.621 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -149.2 121.52 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.6 p -63.33 -18.43 63.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.268 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -50.44 157.87 0.67 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.764 0.316 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -154.77 -64.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -51.27 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.276 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -168.54 -151.97 7.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.5 -178.94 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 74' ' ' LEU . 12.4 mm -109.97 162.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -110.82 167.44 10.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -70.63 -11.3 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -161.46 138.53 8.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.61 76.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.2 mt -98.61 -53.28 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 177.0 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.26 -107.1 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 62.53 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -94.25 -17.9 22.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.963 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.072 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -94.5 59.97 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.61 HG22 ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.61 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.535 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.535 ' HB2' HG23 ' B' ' 109' ' ' THR . 52.6 mm-40 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.652 ' HA ' ' CE ' ' B' ' 117' ' ' LYS . 43.4 t60 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 35' ' ' LEU . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.969 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.64 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.454 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.936 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.649 ' HE2' HD13 ' B' ' 116' ' ' LEU . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.936 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.715 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.701 ' HB3' HD22 ' A' ' 16' ' ' LEU . 4.9 mt -76.33 -19.7 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 6.7 m-85 -132.45 59.35 43.01 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.871 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 24.3 Cg_exo -63.42 -27.32 70.83 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.32 2.013 . . . . 0.0 112.131 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.38 87.81 0.5 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.99 161.79 26.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.17 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -45.69 59.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' B' ' 146' ' ' TRP . . . -60.99 -38.5 86.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.26 -14.02 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.45 -28.62 10.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.173 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.87 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.69 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.541 ' O ' HD22 ' B' ' 149' ' ' LEU . 0.5 OUTLIER -68.51 -7.88 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.622 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLN . . . . . 0.41 ' N ' ' HD1' ' B' ' 146' ' ' TRP . 4.1 tm0? -55.78 -22.9 26.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.135 0.493 . . . . 0.0 110.149 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -9.24 41.07 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.541 HD22 ' O ' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -29.73 69.6 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 150' ' ' LYS . . . . . 0.466 ' N ' HD23 ' B' ' 149' ' ' LEU . 0.0 OUTLIER -102.59 -23.88 13.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.418 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 4.1 m -67.07 -50.9 60.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 46.06 -169.98 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.27 -65.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 156.88 -139.17 6.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 62.73 122.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -171.33 169.32 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.676 HD13 ' N ' ' B' ' 157' ' ' ILE . 0.2 OUTLIER -133.21 -38.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.418 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.407 ' N ' HG12 ' B' ' 157' ' ' ILE . 4.5 m-20 59.64 -179.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -159.97 53.49 0.35 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -121.78 61.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.586 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 100.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.83 63.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 111.6 28.08 3.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.898 ' HG3' HG23 ' B' ' 165' ' ' VAL . 7.8 tppt? 63.94 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.664 0.269 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.898 HG23 ' HG3' ' B' ' 164' ' ' LYS . 24.8 t -129.74 136.64 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.988 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 60.8 m -166.22 -44.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.4 t -58.98 129.02 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 101.77 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.91 -58.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.492 HG12 ' N ' ' B' ' 171' ' ' GLY . 20.2 t -143.36 159.51 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.492 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -96.6 28.73 12.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.533 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 58.87 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' B' ' 176' ' ' GLU . 21.6 mm -118.49 153.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tp -112.24 -29.75 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -142.99 88.97 2.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.671 ' HB2' HG21 ' B' ' 173' ' ' ILE . 0.9 OUTLIER 179.57 -73.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.432 ' C ' HD23 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -95.68 -171.9 2.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.432 HD23 ' C ' ' B' ' 177' ' ' GLU . 0.3 OUTLIER -174.64 102.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -149.32 30.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.62 -100.2 1.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.62 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.58 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -16.73 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER -94.68 48.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 127' ' ' ILE . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.629 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 25.9 t60 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.014 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.981 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.854 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.854 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' SD ' ' B' ' 108' ' ' MET . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HB3' HD23 ' B' ' 135' ' ' LEU . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.824 HD22 HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -69.98 -19.7 63.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.842 ' CZ ' HD23 ' B' ' 116' ' ' LEU . 17.9 m-85 -125.24 61.11 32.97 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.397 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 91.7 Cg_endo -92.52 -166.34 0.16 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.842 2.362 . . . . 0.0 112.372 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.25 109.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.406 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.01 148.07 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD12 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -104.91 91.83 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 171.29 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -111.9 122.35 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -175.97 120.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.09 96.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.28 34.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.86 155.42 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.0 75.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.07 -72.13 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.148 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? 58.9 159.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 111.17 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 m -109.52 153.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -121.28 -172.78 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -168.21 142.21 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -108.72 37.51 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -92.85 168.21 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.43 93.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.46 -119.91 6.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.8 -171.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -133.39 179.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -177.46 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -145.77 -167.18 2.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 63.44 135.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.41 114.8 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.79 80.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -112.47 -22.89 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.63 -20.77 0.7 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.731 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 43.8 83.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.859 0.361 . . . . 0.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.08 23.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.139 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.283 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p -82.82 4.24 26.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.65 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.908 HD22 ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.668 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 87.0 mm-40 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.737 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.827 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.842 HD23 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.783 ' HG2' HG21 ' B' ' 127' ' ' ILE . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.827 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.592 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.754 ' CB ' HD21 ' A' ' 35' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.824 ' O ' HD21 ' A' ' 16' ' ' LEU . 35.4 mt -66.93 -20.47 65.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.755 ' CD2' HD23 ' A' ' 16' ' ' LEU . 1.6 m-85 -127.53 69.05 74.93 Favored Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.47 -63.99 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.385 2.057 . . . . 0.0 111.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 150.21 -28.16 1.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.493 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.86 156.41 38.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.261 0.553 . . . . 0.0 111.597 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.54 22.17 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.78 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -66.8 -68.86 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' B' ' 146' ' ' TRP . . . -52.14 -25.26 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.691 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.22 -34.33 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.604 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -107.69 -66.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -44.98 -55.33 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.905 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.405 ' HB2' ' HA ' ' B' ' 142' ' ' ALA . 0.3 OUTLIER -66.39 -18.54 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.497 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -25.37 57.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.42 -11.33 9.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.408 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.73 -29.97 69.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -34.49 11.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.513 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.9 m -161.85 118.52 2.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.322 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.8 ttm -112.37 129.4 56.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.778 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -121.75 135.41 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -176.65 -124.89 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -81.76 142.73 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.72 -36.23 3.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 40.9 pt -92.78 50.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 138.3 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.81 -67.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.04 3.61 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.45 ' H ' HD23 ' B' ' 161' ' ' LEU . 0.9 OUTLIER -58.07 -21.91 47.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.663 0.268 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -164.72 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.74 -55.06 29.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.389 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? 60.04 159.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.81 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 22.4 t -109.13 58.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 34.2 m 60.6 88.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.6 92.29 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.88 -174.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 170' ' ' VAL . 15.7 t -106.92 39.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.56 -112.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -108.51 105.3 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.4 mm -76.5 146.56 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 mt -124.44 159.33 30.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.7 142.09 56.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -177.25 -175.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.59 74.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.812 ' O ' HD12 ' B' ' 178' ' ' LEU . 1.5 pp -134.58 145.07 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 44.0 t -133.02 25.89 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -126.02 -33.97 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.732 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.08 81.71 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.11 22.01 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.443 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.198 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.5 81.67 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HD2' ' B' ' 103' ' ' ARG . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.07 HD12 HD12 ' B' ' 106' ' ' ILE . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.489 ' HE2' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.672 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.672 ' HB2' HG23 ' A' ' 9' ' ' THR . 3.9 tt0 -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.692 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.3 t-80 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.815 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.735 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.903 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.773 HG13 ' HB2' ' A' ' 31' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.973 ' HG ' HD21 ' B' ' 135' ' ' LEU . 1.4 mt -77.25 -27.4 53.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -90.06 -53.13 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.405 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 50.8 Cg_endo -92.07 175.35 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.397 2.731 . . . . 0.0 112.634 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.373 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -105.89 161.87 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -63.93 118.25 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.46 159.46 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 57' ' ' ILE . 3.4 tt -132.49 121.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -177.7 152.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 37.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 43.62 64.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 62' ' ' ALA . 3.4 pp -60.16 -30.59 69.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.423 ' HB3' HD12 ' A' ' 61' ' ' LEU . . . -176.0 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.13 58.78 0.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 60.67 167.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.4 129.31 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -79.47 131.12 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -176.64 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 67.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.36 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.6 113.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.04 48.91 0.94 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.53 159.74 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.631 ' C ' HD13 ' A' ' 74' ' ' LEU . 22.5 mm -101.58 116.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -156.48 175.18 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.34 28.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.91 115.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -156.64 149.95 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.94 -169.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.27 -166.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.33 -14.06 59.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.748 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.82 99.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 64.51 25.62 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.221 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.83 78.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 1.07 HD12 HD12 ' A' ' 6' ' ' ILE . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.813 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' HB2' ' B' ' 112' ' ' GLN . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.438 ' HB2' HG23 ' B' ' 109' ' ' THR . 6.3 mm-40 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.686 ' HA ' HD23 ' B' ' 116' ' ' LEU . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HA ' HG13 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.409 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.758 HD11 HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.786 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.973 HD21 ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt -78.12 -19.9 53.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.683 ' HZ ' HD22 ' A' ' 16' ' ' LEU . 14.6 m-85 -129.46 50.89 6.51 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.864 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 76.2 Cg_endo -91.14 -13.57 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.84 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -46.64 139.8 7.15 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.989 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' B' ' 142' ' ' ALA . 35.9 m-20 -95.52 131.46 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.84 -21.24 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.474 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' B' ' 145' ' ' ALA . 0.7 OUTLIER -97.0 -15.12 21.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.395 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 139' ' ' ASP . . . -68.44 -49.14 62.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 111.463 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -58.43 -34.59 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.218 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -17.9 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.361 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 141' ' ' ASP . . . -58.04 -48.98 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' B' ' 149' ' ' LEU . 66.5 m95 -79.76 -18.13 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.461 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -84.02 0.38 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.545 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -118.11 -16.23 9.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.442 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' B' ' 146' ' ' TRP . 41.0 mt -60.94 -32.65 72.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.88 24.58 12.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 70.9 m -100.16 -31.11 11.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.743 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -47.24 5.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 pp -110.2 176.32 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.33 164.92 20.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.79 143.99 38.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.38 156.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pt -84.53 171.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.85 164.3 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -172.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 161.69 -32.09 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.23 86.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.42 89.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.988 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.67 -78.81 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 1.2 mmpt? 60.53 163.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.498 HG22 ' N ' ' B' ' 166' ' ' SER . 11.1 p -86.32 159.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 166' ' ' SER . . . . . 0.498 ' N ' HG22 ' B' ' 165' ' ' VAL . 3.4 p -70.78 64.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.503 ' O ' HG23 ' B' ' 167' ' ' THR . 5.7 t -97.11 89.46 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -64.53 -48.71 74.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 5.6 t -168.81 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.641 HG11 HD11 ' B' ' 173' ' ' ILE . 2.4 t -87.6 165.11 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.459 ' H ' HG12 ' B' ' 170' ' ' VAL . . . -78.43 115.57 4.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.844 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.11 -93.37 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.641 HD11 HG11 ' B' ' 170' ' ' VAL . 1.2 mt 61.36 150.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 111.059 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.77 -165.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.2 p30 44.8 -166.32 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.612 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.61 168.91 18.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 45.85 78.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.419 HD11 HG21 ' B' ' 173' ' ' ILE . 1.3 mt -89.79 -66.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.3 m -148.46 151.48 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.13 -14.58 63.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.752 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.66 -33.64 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -109.5 -21.17 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.113 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.721 0.296 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -60.3 87.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.804 HD12 HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.737 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' CB ' HG23 ' A' ' 9' ' ' THR . 3.8 tt0 -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.788 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HG2' HG21 ' A' ' 27' ' ' ILE . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.939 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.939 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.917 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.659 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HD22 ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.94 -22.4 65.94 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 4.6 m-85 -88.13 -50.45 0.42 Allowed Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 45.0 Cg_endo -95.1 -163.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.331 2.687 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -72.99 1.04 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.918 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -158.42 161.28 37.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 46' ' ' TRP . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 131.57 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.84 55.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 58' ' ' ASN . 18.8 mm 63.84 161.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -159.77 106.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.17 134.24 56.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.8 45.73 1.81 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -160.52 74.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.956 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.64 52.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.54 87.0 0.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -58.05 -30.4 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 66' ' ' SER . 21.6 t -58.98 155.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -77.09 157.76 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -165.3 155.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 160.01 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.46 -37.41 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.14 151.19 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 125.07 3.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -85.72 103.11 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' ASP . 27.4 mm -110.02 109.51 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mp 65.42 -69.36 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.18 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t70 51.41 -171.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.169 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -174.31 147.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -68.37 70.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.96 -177.54 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.55 101.25 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.49 -26.83 20.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.669 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 62.38 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -101.39 20.1 16.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.206 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.72 0.295 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 67.67 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.809 HD11 HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.809 HG13 HD11 ' B' ' 104' ' ' LEU . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.492 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.509 HG23 ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.509 ' CB ' HG23 ' B' ' 109' ' ' THR . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.709 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.748 HD11 HG13 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.444 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.818 HG13 ' HB2' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.654 ' OH ' HD22 ' B' ' 119' ' ' LEU . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.818 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 35' ' ' LEU . 27.5 mt -72.06 -19.82 61.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 16' ' ' LEU . 2.2 m-85 -135.76 61.45 42.21 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.31 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 11.1 Cg_exo -71.53 -56.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.526 2.151 . . . . 0.0 112.025 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 167.08 159.7 13.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.21 169.39 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.88 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -76.03 -39.48 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.26 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.14 26.21 3.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.295 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -112.9 -39.19 4.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.5 63.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -68.77 -21.38 64.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' B' ' 183' ' ' ALA . 2.7 mp0 -104.2 33.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.741 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.63 -34.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.37 -29.96 69.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.21 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.04 -23.0 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.6 m -60.49 -50.21 74.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 178.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 171.33 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -169.46 160.75 34.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.56 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 60.54 163.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -62.62 -57.87 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 157' ' ' ILE . 2.9 pp -147.21 178.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -176.6 144.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 109.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 133.71 43.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.567 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.419 HD23 ' N ' ' B' ' 162' ' ' ALA . 0.4 OUTLIER -160.56 174.62 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 162' ' ' ALA . . . . . 0.419 ' N ' HD23 ' B' ' 161' ' ' LEU . . . -174.12 -68.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.16 -114.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.461 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.54 47.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 35.8 m -96.46 170.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.13 74.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.0 t -60.79 173.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -177.69 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.9 m 62.5 175.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.0 88.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 73.13 -141.55 30.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.86 177.29 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 30.3 mm -110.7 104.8 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mp -135.85 -62.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.64 132.16 52.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -61.79 -174.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' B' ' 177' ' ' GLU . 10.1 pt-20 40.34 90.85 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.96 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.09 88.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 79.4 p -112.61 148.62 34.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 90.89 99.77 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.559 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.66 100.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 110.572 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 63.18 24.73 14.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.566 ' HB3' ' HG2' ' B' ' 147' ' ' GLN . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.792 0.33 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p -91.51 48.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.586 ' N ' HD12 ' A' ' 4' ' ' LEU . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' B' ' 132' ' ' LEU . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.43 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.753 ' NE2' HD21 ' B' ' 132' ' ' LEU . 0.1 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.937 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.937 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.921 ' CD1' HD21 ' A' ' 16' ' ' LEU . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' O ' HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' CE ' ' B' ' 108' ' ' MET . 17.3 mt -67.59 -19.88 65.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CE2' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -148.87 69.71 10.08 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.878 179.32 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 74.0 Cg_endo -89.85 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.969 2.446 . . . . 0.0 112.754 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.6 -92.24 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.611 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -125.33 129.83 50.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 134' ' ' ARG . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' B' ' 139' ' ' ASP . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -85.49 -177.01 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -97.05 102.98 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.08 -35.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 177.8 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.48 100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.22 -65.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD13 ' HE2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -165.93 136.86 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.48 -79.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 25.49 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.376 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HE2' HD13 ' A' ' 61' ' ' LEU . 1.5 tppp? 53.82 32.78 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 65' ' ' VAL . 15.1 t -101.75 26.99 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t 56.69 91.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -60.95 170.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 140.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m 59.6 168.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.66 152.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.18 -88.34 1.06 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.435 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -146.88 101.28 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.4 139.59 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -110.81 -68.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -29.08 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 64.35 132.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' OE2' ' HB2' ' A' ' 83' ' ' ALA . 22.3 pt-20 -65.94 -164.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 79' ' ' SER . 2.6 pp -127.5 160.36 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.426 ' HB2' HD12 ' A' ' 78' ' ' LEU . 1.5 m 60.75 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.59 120.55 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -34.14 70.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -140.76 28.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' OE2' ' A' ' 77' ' ' GLU . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 92.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.586 HD11 ' O ' ' A' ' 28' ' ' LYS . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.671 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.721 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.721 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.499 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.78 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.78 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.973 ' HB2' HD11 ' A' ' 6' ' ' ILE . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.526 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 mt -77.68 -19.5 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 10.2 m-85 -122.49 50.94 2.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.983 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 84.8 Cg_endo -88.25 -166.01 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.514 2.143 . . . . 0.0 112.19 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.4 82.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.531 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 42' ' ' ALA . 9.2 m-20 -102.7 148.55 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.9 11.3 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.568 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' ASP . . . . . 0.652 ' O ' ' HB3' ' B' ' 145' ' ' ALA . 2.8 p30 -61.42 -35.25 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.084 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -30.84 70.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -79.84 -31.52 40.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.25 -66.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 141' ' ' ASP . . . -46.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -26.35 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -30.61 66.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.13 0.49 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' HB2' ' B' ' 152' ' ' MET . 0.6 OUTLIER -82.47 -32.89 28.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.369 179.639 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.09 -29.97 71.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -35.89 8.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.024 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.8 m -164.65 92.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' MET . . . . . 0.44 ' HB2' ' HG2' ' B' ' 148' ' ' GLU . 8.6 ttt -76.5 138.45 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.31 139.78 41.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -168.53 -148.89 5.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.76 17.71 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.261 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 54.34 3.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 31.3 mt -146.07 147.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.443 ' HA ' HG21 ' B' ' 170' ' ' VAL . 5.0 p-10 -62.95 123.05 17.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.69 148.18 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -131.13 -58.57 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.689 HD13 ' H ' ' B' ' 162' ' ' ALA . 0.3 OUTLIER -161.07 147.08 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 162' ' ' ALA . . . . . 0.689 ' H ' HD13 ' B' ' 161' ' ' LEU . . . -174.56 -57.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -141.29 27.36 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.557 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.92 52.69 8.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.42 142.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 117.73 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 11.3 p 56.03 103.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 142.59 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -172.5 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.596 HG11 HD13 ' B' ' 173' ' ' ILE . 18.8 t -131.36 159.47 43.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.486 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -99.33 -42.74 2.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.37 118.4 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.596 HD13 HG11 ' B' ' 170' ' ' VAL . 21.4 mm -87.11 112.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.78 174.0 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -138.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 76.3 130.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -152.43 96.97 2.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.1 pp -143.82 147.72 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 28.6 t 62.86 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 166.76 -96.21 0.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 62.39 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 110.61 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' ARG . . . . . 0.425 ' NH1' HG13 ' B' ' 170' ' ' VAL . 83.7 mtt180 -113.32 21.6 15.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.244 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER -77.26 72.12 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.585 ' CD ' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.925 HD11 HD21 ' A' ' 4' ' ' LEU . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.708 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG2' ' CD2' ' B' ' 136' ' ' PHE . 2.6 tt0 -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD12 HD23 ' B' ' 135' ' ' LEU . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' B' ' 135' ' ' LEU . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.759 ' O ' HD21 ' B' ' 116' ' ' LEU . 14.1 mt -77.99 -23.61 48.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.956 ' CD2' HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -127.05 51.13 6.02 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.5 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 54.9 Cg_endo -92.09 -18.95 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.64 2.226 . . . . 0.0 113.125 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.4 -125.4 7.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.789 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.08 151.25 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.493 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.15 155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -115.86 -72.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tt -155.95 26.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.13 -44.09 31.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 p30 43.66 33.3 0.66 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.536 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.92 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -151.22 -177.2 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -173.27 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.69 97.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt 66.54 -71.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.681 0.276 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 66' ' ' SER . 21.1 t 65.7 156.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.069 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.437 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -109.89 58.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 149.35 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 83.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -137.36 -47.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -58.45 107.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.1 122.22 5.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 166.23 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 74' ' ' LEU . 22.3 mm -110.93 161.04 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -122.26 -64.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.051 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -164.79 163.27 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 61.46 114.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.39 107.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.25 -179.35 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 t -87.16 -54.97 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.91 -38.31 10.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.607 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.51 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -97.07 14.01 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.804 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.21 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 81.88 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.585 HG22 ' CD ' ' A' ' 3' ' ' ARG . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.566 ' SD ' HG23 ' B' ' 106' ' ' ILE . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.655 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.956 HD13 ' CD2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.604 HD13 HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.803 ' CZ ' HD11 ' B' ' 119' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.736 ' HB1' HD13 ' A' ' 35' ' ' LEU . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.708 HD12 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.11 -19.78 56.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.659 ' CD2' HD23 ' A' ' 16' ' ' LEU . 1.9 m-85 -137.42 50.47 3.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.142 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 65.1 Cg_endo -91.96 26.44 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.62 2.213 . . . . 0.0 112.41 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 153.58 91.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -109.39 -177.55 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.92 10.55 1.98 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.84 -24.48 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' B' ' 145' ' ' ALA . . . -55.7 -23.71 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.303 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 147' ' ' GLN . 0.7 OUTLIER -55.06 -27.01 41.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.04 -20.27 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.353 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 142' ' ' ALA . . . -62.87 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.263 0.554 . . . . 0.0 111.817 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' B' ' 149' ' ' LEU . 42.9 t-105 -81.61 -6.45 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.234 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' B' ' 143' ' ' ASP . 12.4 mm100 -97.37 25.93 5.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.066 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.23 -41.02 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.499 HD21 ' CE3' ' B' ' 146' ' ' TRP . 3.7 pp -60.76 -29.86 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.614 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' LYS . . . . . 0.44 ' N ' HD12 ' B' ' 149' ' ' LEU . 0.2 OUTLIER -96.83 -13.78 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.028 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.7 m -54.04 -49.47 68.88 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.2 ttt -81.68 141.99 33.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.95 178.75 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -131.16 90.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 60.37 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -106.24 101.07 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.694 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.0 OUTLIER -172.56 -41.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.422 ' N ' HG23 ' B' ' 157' ' ' ILE . 5.0 m-20 -59.05 120.04 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.23 -178.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.36 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 161' ' ' LEU . 1.3 tm? -160.82 -45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.33 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -151.98 54.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.57 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 60.18 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 165' ' ' VAL . 29.4 m -87.37 109.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -166.66 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 10.5 t -173.91 163.45 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.88 -179.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 21.5 m -65.82 -35.27 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.413 HG22 HH12 ' B' ' 182' ' ' ARG . 38.2 t -63.11 110.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 139.63 -156.31 24.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -123.16 31.28 6.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' ' 174' ' ' LEU . 23.2 mm -101.18 160.36 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.488 ' N ' HG22 ' B' ' 173' ' ' ILE . 1.2 tt 70.28 -65.1 0.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.83 91.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -24.25 62.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -152.31 118.34 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 121.89 30.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 6.2 p -72.64 -31.01 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.35 120.4 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -55.47 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.365 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' ARG . . . . . 0.413 HH12 HG22 ' B' ' 170' ' ' VAL . 0.6 OUTLIER 65.06 23.2 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.33 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.15 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER -113.62 68.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG23 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.732 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.832 HG22 ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.832 ' HB2' HG22 ' A' ' 9' ' ' THR . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HB3' ' CE2' ' B' ' 136' ' ' PHE . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.443 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.031 HD11 HD22 ' B' ' 104' ' ' LEU . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' B' ' 106' ' ' ILE . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD13 ' SD ' ' B' ' 108' ' ' MET . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.719 ' HB3' HD22 ' B' ' 116' ' ' LEU . 42.3 mt -77.29 -23.23 51.14 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.645 ' HE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.97 52.74 5.29 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.324 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 72.0 Cg_endo -92.34 -177.25 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.793 2.329 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.14 0.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.613 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.08 165.01 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CZ2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 70' ' ' VAL . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 58.83 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.67 48.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 57' ' ' ILE . 22.4 mt 65.74 46.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -59.65 100.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.69 124.83 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.85 39.01 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.08 87.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 110.98 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -71.25 0.69 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.15 29.49 0.23 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm 55.07 84.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 ' N ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -157.48 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.688 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER 49.35 47.98 21.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 0.0 111.28 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 68.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 -45.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -166.62 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.604 ' N ' HG23 ' A' ' 51' ' ' THR . 19.7 t -143.84 159.39 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 70' ' ' VAL . . . 163.26 155.04 7.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -31.27 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.8 144.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 mt -104.1 -169.65 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.1 174.73 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.31 97.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -156.58 114.79 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.05 -53.18 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -110.19 147.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.82 -149.56 16.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.72 79.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.392 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 67.89 22.91 8.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.27 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.118 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.29 52.03 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 1.031 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.945 HD11 HD21 ' B' ' 104' ' ' LEU . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.767 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.489 ' OG1' ' NE2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.489 ' NE2' ' OG1' ' B' ' 109' ' ' THR . 0.3 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.785 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 35' ' ' LEU . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.456 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.785 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.574 ' CE2' HD12 ' B' ' 116' ' ' LEU . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.567 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.573 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.83 HD22 ' HB1' ' A' ' 31' ' ' ALA . 33.3 mt -78.22 -19.69 53.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -127.02 48.96 3.6 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.965 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 88.0 Cg_endo -89.22 145.97 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.351 2.034 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 132.83 82.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -139.06 150.05 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.43 7.02 4.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.679 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.89 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -89.67 -31.03 17.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -85.14 -57.26 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.16 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.347 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -65.22 -19.4 65.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.263 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -24.68 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.04 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -1.05 47.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -30.37 69.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -20.01 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.435 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 -70.44 0.71 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 6.9 tpt 53.13 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.77 150.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 174.65 56.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -126.45 156.05 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 60.65 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 20.4 mt -134.12 -68.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.55 148.15 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -61.49 107.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 179.5 -81.22 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.21 159.65 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.57 36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.99 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.614 ' HG3' HG12 ' B' ' 165' ' ' VAL . 0.0 OUTLIER -69.3 -71.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.614 HG12 ' HG3' ' B' ' 164' ' ' LYS . 10.8 p -173.81 135.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 120.39 38.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.3 t -177.16 95.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 122.63 40.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 8.0 t -116.66 -57.17 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.51 124.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -137.65 105.31 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.97 75.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.2 mm -113.14 91.66 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.74 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.29 -79.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 73.6 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.69 62.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.34 -69.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.35 -62.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 160.67 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 100.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 65.99 23.42 11.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.208 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.86 87.8 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD21 ' A' ' 4' ' ' LEU . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.787 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' H ' HG23 ' A' ' 9' ' ' THR . 1.7 tt0 -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.776 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD23 ' CE2' ' B' ' 136' ' ' PHE . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLN . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 22' ' ' LEU . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.966 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HB3' HG23 ' A' ' 26' ' ' THR . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.759 ' HE2' HD13 ' A' ' 16' ' ' LEU . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD21 ' B' ' 116' ' ' LEU . 17.4 mt -74.0 -19.76 60.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' B' ' 116' ' ' LEU . 3.7 m-85 -129.76 59.65 46.28 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.459 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 7.7 Cg_exo -72.65 -67.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.409 2.073 . . . . 0.0 112.22 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.97 -36.56 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.09 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.1 148.48 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 66.33 -72.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.54 175.26 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.61 149.97 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.08 166.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.48 -70.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.81 5.39 3.39 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.053 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp 57.04 157.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.978 0.418 . . . . 0.0 111.343 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.02 -71.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -123.66 29.18 5.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 3.0 mmpt? -59.51 170.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.9 m -120.58 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -101.4 135.39 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 t -176.91 129.93 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.11 117.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 m -116.47 -171.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.12 91.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.373 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.58 -157.18 48.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 -161.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.681 0.277 . . . . 0.0 110.721 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -95.68 86.54 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.399 . . . . 0.0 111.008 179.727 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.06 -169.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.92 105.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.7 mt-10 -51.86 144.71 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.87 77.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -104.76 -30.19 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -148.72 164.04 35.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -17.66 54.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.65 102.89 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.794 0.33 . . . . 0.0 110.767 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 24.1 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.693 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.246 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.332 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.28 86.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.787 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.741 HD11 HD21 ' B' ' 104' ' ' LEU . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.62 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.694 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.599 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.599 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.712 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.712 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.43 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 34' ' ' ARG . 13.8 mt -77.16 -19.77 56.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' A' ' 16' ' ' LEU . 9.8 m-85 -129.09 56.02 21.54 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.499 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.0 Cg_endo -90.45 95.77 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.6 -157.61 10.21 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.611 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -109.71 163.74 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.08 8.1 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -34.26 41.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.66 98.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -29.23 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.3 -27.7 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.26 -35.72 70.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -90.21 14.8 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.465 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.78 -17.82 12.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.675 0.274 . . . . 0.0 111.338 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.46 -4.74 37.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.379 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.76 -32.45 71.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -25.39 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.597 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.809 HG22 HD21 ' B' ' 153' ' ' LEU . 0.0 OUTLIER -127.19 79.07 1.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.9 ptm -98.85 26.39 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.809 HD21 HG22 ' B' ' 151' ' ' THR . 0.5 OUTLIER -97.41 84.8 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.56 91.66 1.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -121.84 32.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -137.55 155.37 49.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.2 pt -60.18 135.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -177.22 125.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.29 139.69 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.61 -62.15 6.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.479 HD13 HG21 ' B' ' 165' ' ' VAL . 0.2 OUTLIER -165.48 -50.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.5 90.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 72.39 37.97 58.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER 60.76 99.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.479 HG21 HD13 ' B' ' 161' ' ' LEU . 15.4 m -82.49 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 19.3 m -116.12 76.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.5 m -165.0 104.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -73.06 169.52 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 6.7 t -94.32 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 96.2 t 45.84 92.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.372 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -114.51 28.37 8.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.623 0.249 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.2 mm 49.69 95.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.834 0.35 . . . . 0.0 111.41 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.83 158.18 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.25 65.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.1 113.37 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.6 86.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 25.3 mt 60.62 171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 36.1 m 60.51 86.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.24 2.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.56 -31.91 68.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.24 28.36 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.076 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -77.28 78.64 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.562 ' HD3' HG22 ' B' ' 105' ' ' THR . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.791 ' SD ' HD13 ' B' ' 132' ' ' LEU . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.848 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.924 HD21 HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.924 HD12 HD21 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 19' ' ' LEU . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.912 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.604 ' O ' HD21 ' B' ' 116' ' ' LEU . 39.7 mt -77.23 -19.79 56.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.932 ' CE2' HD23 ' B' ' 116' ' ' LEU . 20.3 m-85 -127.45 55.06 14.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.392 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.9 Cg_endo -88.31 -52.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.731 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.51 -85.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 145.41 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.513 HG21 ' H ' ' B' ' 164' ' ' LYS . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -135.28 77.44 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 8.5 mtt180 -138.3 -86.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.8 mm 67.18 -66.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.3 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -169.07 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 50.96 -178.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.351 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.64 -30.94 2.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 55.26 168.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 111.268 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.596 ' H ' HD23 ' A' ' 61' ' ' LEU . . . -178.05 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.77 -81.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.556 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -154.71 167.59 29.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 m -143.51 150.83 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.89 138.13 48.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.703 HG21 ' HG2' ' B' ' 164' ' ' LYS . 68.7 p -65.4 -178.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -174.53 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.056 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.8 ' C ' HG12 ' B' ' 165' ' ' VAL . 68.4 m -129.91 -172.97 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' B' ' 161' ' ' LEU . 4.9 t -119.01 163.06 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -52.51 -87.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.712 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' B' ' 161' ' ' LEU . 0.0 OUTLIER -59.7 158.94 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -134.17 177.98 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -114.6 -45.74 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.14 -176.87 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.35 64.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.93 119.34 26.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.32 166.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 172.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.52 17.96 57.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.669 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.14 -57.81 7.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.26 -17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.02 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.099 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER 42.97 32.28 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.726 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.67 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.562 HG22 ' HD3' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.67 HG12 HD11 ' B' ' 104' ' ' LEU . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.428 HG23 ' OE1' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.793 ' O ' HD12 ' B' ' 119' ' ' LEU . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.932 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.793 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 122' ' ' LEU . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.605 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.553 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.791 HD13 ' SD ' ' A' ' 8' ' ' MET . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.582 HD22 ' HB1' ' A' ' 31' ' ' ALA . 14.9 mt -77.31 -18.43 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.534 ' HB2' ' HD3' ' B' ' 137' ' ' PRO . 6.0 m-85 -88.72 -46.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.534 ' HD3' ' HB2' ' B' ' 136' ' ' PHE . 5.4 Cg_exo -77.49 -158.55 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.836 2.358 . . . . 0.0 112.313 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -147.02 -146.8 4.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.96 159.47 15.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.6 16.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.523 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 145' ' ' ALA . 0.9 OUTLIER -96.06 -39.5 9.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.142 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.19 -66.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.44 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.0 -27.19 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -92.18 -15.57 27.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.506 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 141' ' ' ASP . . . -57.21 -70.61 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.752 0.311 . . . . 0.0 111.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.531 ' HA ' HD23 ' B' ' 149' ' ' LEU . 78.6 m95 -76.47 -11.8 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.566 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -86.31 6.58 29.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.385 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -129.18 -8.32 4.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.522 0.201 . . . . 0.0 111.514 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 146' ' ' TRP . 1.9 mm? -60.88 -29.99 69.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.091 0.472 . . . . 0.0 110.084 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.43 -19.7 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.637 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -50.87 5.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.211 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.3 ttt 68.51 123.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.502 ' C ' HD12 ' B' ' 153' ' ' LEU . 4.1 pp -58.81 174.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -165.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 170.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 28.7 mm 63.97 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.3 -172.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -68.29 -60.0 5.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.661 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.571 ' HB3' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -162.24 -70.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -179.71 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.11 -119.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.212 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' LYS . . . . . 0.703 ' HG2' HG21 ' A' ' 67' ' ' THR . 0.3 OUTLIER -177.95 159.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 69' ' ' SER . 14.8 p -135.9 158.79 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 166' ' ' SER . . . . . 0.48 ' N ' HG22 ' B' ' 165' ' ' VAL . 1.4 m -135.21 160.21 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 166' ' ' SER . 0.0 OUTLIER -176.96 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.81 89.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 29.7 t -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 171' ' ' GLY . 21.2 t -124.49 155.72 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.428 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 152.42 162.8 11.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.73 134.54 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.8 mm -99.74 147.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.69 168.44 14.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 t70 49.93 57.36 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -173.39 -173.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 178' ' ' LEU . 3.4 mp -70.2 157.61 37.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.1 m -97.74 166.06 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 38.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.707 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.01 -38.23 69.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.488 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.15 1.99 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.185 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.57 68.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.714 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.405 HG22 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 4' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' CE2' ' B' ' 136' ' ' PHE . 2.6 tt0 -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD12 ' A' ' 27' ' ' ILE . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.449 ' NE2' ' CE1' ' A' ' 30' ' ' TYR . 3.6 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.79 HD12 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CE1' ' NE2' ' A' ' 23' ' ' GLN . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.893 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 mt -77.9 -25.58 48.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' B' ' 116' ' ' LEU . 23.0 m-85 -94.12 -46.91 0.29 Allowed Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 91.7 Cg_endo -86.71 159.33 9.11 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.69 2.26 . . . . 0.0 112.271 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -84.39 1.1 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.2 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -155.52 149.02 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 45' ' ' ALA . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.33 -11.5 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 63.75 132.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -135.1 128.05 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.251 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.08 99.67 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -60.45 -52.21 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.77 23.1 78.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -65.83 -75.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.11 75.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.37 90.94 0.7 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.48 163.64 3.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -152.27 136.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -78.07 165.56 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -176.68 114.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -124.16 -49.96 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.21 138.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.66 75.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.609 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.56 37.45 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.4 ' C ' HD22 ' A' ' 74' ' ' LEU . 24.7 mm -87.27 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.594 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.8 mm? -108.04 -65.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.21 66.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 102.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.72 -31.42 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.3 p -140.97 167.23 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.54 140.13 18.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -54.32 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.692 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -117.96 23.82 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.184 -179.926 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.22 59.61 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.917 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.917 HD11 HD21 ' B' ' 104' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.774 ' HE1' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.478 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.934 HD12 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.934 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.583 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.456 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.877 HG13 ' HB2' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.877 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt -77.05 -22.99 52.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.477 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 12.5 m-85 -129.92 57.49 31.18 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.2 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 90.6 Cg_endo -90.5 136.27 2.24 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.763 2.309 . . . . 0.0 112.452 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.48 109.08 3.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -150.78 150.08 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -134.68 8.75 3.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.732 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.32 -35.78 8.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.45 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -91.23 15.1 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -59.78 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.61 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.534 ' CE3' HD12 ' B' ' 149' ' ' LEU . 95.0 m95 -85.6 -21.55 28.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -21.16 52.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -102.83 -4.38 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.534 HD12 ' CE3' ' B' ' 146' ' ' TRP . 6.4 mt -60.74 -31.21 70.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.943 0.402 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -25.29 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.561 179.359 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.783 HG22 ' H ' ' B' ' 153' ' ' LEU . 88.0 m -65.32 -77.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 14.9 tpp 64.12 24.22 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.783 ' H ' HG22 ' B' ' 151' ' ' THR . 14.7 mt -125.67 149.52 48.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -173.73 131.27 2.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.548 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.7 107.0 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -90.87 158.44 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 157' ' ' ILE . 3.9 mp -92.95 104.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -169.18 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.01 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 60.64 49.9 73.55 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 2.4 mt -143.16 99.16 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.9 -62.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.5 49.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.638 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -66.52 120.8 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.485 HG12 ' N ' ' B' ' 166' ' ' SER . 22.2 t -137.3 158.35 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 166' ' ' SER . . . . . 0.485 ' N ' HG12 ' B' ' 165' ' ' VAL . 21.9 m -106.93 169.11 8.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.85 92.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 157.19 45.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 14.7 p -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.25 128.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.55 91.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -149.41 -164.86 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 173' ' ' ILE . 0.1 OUTLIER -111.41 160.54 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.089 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.42 HD23 ' N ' ' B' ' 174' ' ' LEU . 0.4 OUTLIER -113.34 161.6 17.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.87 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.48 77.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.27 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -165.79 163.15 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 103.84 2.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' B' ' 181' ' ' ASP . 2.7 pp -165.32 162.91 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.38 100.78 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 112.99 27.48 3.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.57 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 181' ' ' ASP . . . . . 0.499 ' HB3' HD13 ' B' ' 178' ' ' LEU . 8.0 p-10 -59.08 -39.87 83.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 19.2 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.183 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.58 88.97 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 6' ' ' ILE . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 4' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.627 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.923 HG22 ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.923 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.579 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.765 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.805 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.945 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.539 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.698 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.865 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD11 ' O ' ' B' ' 107' ' ' ASP . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' B' ' 134' ' ' ARG . 83.3 mt -77.33 -22.66 51.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -122.66 52.23 3.99 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.265 179.259 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 90.8 Cg_endo -88.0 92.1 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.338 2.025 . . . . 0.0 112.447 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.88 -56.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -130.81 162.1 30.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.572 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.572 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -99.98 154.52 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -74.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -48.72 -29.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.462 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.88 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.4 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -139.47 -46.62 0.46 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.19 6.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -163.86 118.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.76 70.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 23.99 77.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.597 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 46.95 33.15 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.7 t 60.09 30.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.3 OUTLIER -114.68 127.29 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 66' ' ' SER . 9.9 t -179.18 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.59 41.23 9.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.408 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -87.61 -59.41 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.75 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t 45.93 93.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 81.95 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.63 44.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.58 95.56 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.32 145.05 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -39.18 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 177.59 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.28 95.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.942 0.401 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.38 155.41 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -147.63 -51.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 157.73 -27.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.67 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.785 0.326 . . . . 0.0 110.542 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -104.02 21.17 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.174 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.87 71.71 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.733 ' O ' HD11 ' A' ' 32' ' ' LEU . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.59 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.72 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.622 HD13 ' HE2' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.72 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.51 ' HZ2' ' HA ' ' B' ' 128' ' ' LYS . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.622 ' HE2' HD13 ' B' ' 116' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.544 HD11 ' NE2' ' A' ' 12' ' ' GLN . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 16' ' ' LEU . 8.2 mt -71.79 -19.46 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 16' ' ' LEU . 2.5 m-85 -125.68 60.74 34.2 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.442 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' B' ' 135' ' ' LEU . 73.4 Cg_endo -92.27 26.53 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.567 2.178 . . . . 0.0 112.551 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 175.97 166.74 33.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.69 140.74 31.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.13 99.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.46 -42.02 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.75 96.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -38.53 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.1 -28.97 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.23 90.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 146' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' B' ' 149' ' ' LEU . 44.9 m95 -90.34 24.65 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -110.04 -20.7 12.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -105.06 -15.05 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' B' ' 146' ' ' TRP . 87.7 mt -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.364 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -98.2 -22.78 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 92.1 m -55.8 -32.86 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -85.95 127.65 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -93.16 -165.08 37.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.77 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 156' ' ' ARG . . . . . 0.642 ' O ' HG22 ' B' ' 157' ' ' ILE . 0.0 OUTLIER -80.44 -77.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.902 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.642 HG22 ' O ' ' B' ' 156' ' ' ARG . 5.4 tt 49.84 168.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.026 179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.81 104.97 3.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -63.23 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -66.12 77.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 161' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' B' ' 165' ' ' VAL . 0.3 OUTLIER -56.58 -63.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.616 0.246 . . . . 0.0 111.08 -179.857 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.79 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 149.85 37.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.008 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? 45.46 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 111.613 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 165' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' B' ' 161' ' ' LEU . 25.7 t -140.17 99.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 -19.58 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.35 150.18 3.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.868 0.366 . . . . 0.0 111.095 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.07 86.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 45.8 m -106.76 167.52 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.25 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 115.51 32.66 1.73 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.68 -30.99 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.8 mm -87.45 133.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.49 163.85 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -38.5 81.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.11 145.87 34.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.09 148.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -107.8 112.07 24.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 71.0 -116.08 6.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.25 80.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.739 0.304 . . . . 0.0 110.711 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 64.63 23.82 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.231 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 51.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 4' ' ' LEU . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 8' ' ' MET . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.743 ' HB2' ' C ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.519 ' O ' ' N ' ' B' ' 101' ' ' MET . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.538 HE22 ' CG ' ' B' ' 139' ' ' ASP . 0.5 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.668 ' N ' ' HA ' ' B' ' 101' ' ' MET . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.648 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.857 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.735 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 18' ' ' ALA . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.026 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.524 HH21 HD13 ' A' ' 16' ' ' LEU . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.744 HD12 ' CE ' ' B' ' 108' ' ' MET . 4.7 mt -77.37 -19.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -96.51 -50.53 0.23 Allowed Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.568 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 60.0 Cg_endo -92.78 -87.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.222 2.615 . . . . 0.0 113.33 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' ARG . . . 178.49 -135.77 2.74 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.217 -179.629 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -92.31 155.42 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.91 120.43 32.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -129.18 54.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.7 mt -125.63 145.16 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.5 38.76 15.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.079 0.466 . . . . 0.0 110.713 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.33 22.78 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.526 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.604 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 46.31 26.81 2.49 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.018 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -169.55 130.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.7 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.26 -28.7 2.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.654 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.36 33.32 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.48 29.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 67' ' ' THR . 3.3 m -105.26 -174.29 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -170.57 130.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.912 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.36 34.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -43.92 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' HG2' ' A' ' 82' ' ' ARG . 21.8 t -112.76 107.15 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.57 119.48 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.38 -44.07 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.1 mm 59.41 98.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 66.08 -71.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -161.93 174.85 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.4 126.7 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.72 111.92 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 79' ' ' SER . 3.3 pp -57.31 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.578 ' HB2' HD12 ' A' ' 78' ' ' LEU . 0.2 OUTLIER 67.65 107.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 81.41 -142.56 23.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.553 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 62.16 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HG2' HG21 ' A' ' 70' ' ' VAL . 2.8 tpm_? -106.97 22.52 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 179.359 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.18 -179.887 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.857 ' HG2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t 55.49 169.87 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.696 -178.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.68 HD11 ' CG1' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.68 ' CG1' HD11 ' B' ' 104' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.565 ' O ' HD11 ' A' ' 32' ' ' LEU . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.762 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.817 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.991 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.991 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.817 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.908 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.577 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.5 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.809 ' HB3' HD22 ' A' ' 16' ' ' LEU . 14.7 mt -77.38 -19.87 55.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.857 ' CE1' ' HG2' ' B' ' 101' ' ' MET . 0.8 OUTLIER -139.45 56.04 7.98 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 179.721 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 50.0 Cg_exo -52.63 -31.35 49.54 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.23 1.953 . . . . 0.0 112.141 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.47 90.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 139' ' ' ASP . . . . . 0.538 ' CG ' HE22 ' A' ' 12' ' ' GLN . 0.3 OUTLIER -104.91 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.937 -179.868 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.57 10.82 2.06 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.824 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.56 -35.16 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.77 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.197 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.24 -26.49 64.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.7 -30.8 63.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.05 83.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -62.79 -20.68 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -89.38 -20.78 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 148' ' ' GLU . . . . . 0.413 ' HA ' ' HG1' ' B' ' 151' ' ' THR . 0.0 OUTLIER -106.84 -8.14 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.281 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.78 -32.74 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.3 15.65 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.719 179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 151' ' ' THR . . . . . 0.565 ' O ' HG22 ' B' ' 151' ' ' THR . 26.6 m -105.39 28.2 7.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.33 117.98 22.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 mt -118.3 94.98 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -91.99 157.63 24.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.68 104.12 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -151.16 -72.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.648 ' O ' HG23 ' B' ' 157' ' ' ILE . 7.7 tp -73.14 98.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.92 65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.2 -30.58 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 115.66 -32.85 5.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 50.47 -166.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 111.226 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -173.67 68.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 97.62 -101.22 2.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -155.05 114.86 3.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.51 -179.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 34.8 m -139.32 36.84 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 167' ' ' THR . . . . . 0.58 HG21 ' HA2' ' B' ' 171' ' ' GLY . 9.6 p -61.28 131.65 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.2 25.84 11.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 11.4 p 178.94 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.571 ' HB ' HD11 ' B' ' 173' ' ' ILE . 26.3 t -127.78 158.79 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' B' ' 167' ' ' THR . . . -83.11 166.53 44.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.651 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 42.57 54.96 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.983 0.42 . . . . 0.0 111.875 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 173' ' ' ILE . . . . . 0.571 HD11 ' HB ' ' B' ' 170' ' ' VAL . 25.6 mm -109.31 114.7 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.001 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.93 -66.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 175' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' B' ' 176' ' ' GLU . 1.8 t0 -160.14 -153.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.91 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 175' ' ' ASP . 2.3 tt0 80.05 177.3 0.11 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -168.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.68 30.23 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 2.6 p -79.9 96.8 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 123.33 133.21 4.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.73 -37.85 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -144.33 26.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.181 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.665 ' HB2' ' HD2' ' B' ' 113' ' ' HIS . 67.0 p -121.91 89.36 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 6' ' ' ILE . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.444 ' HA ' ' HG3' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' A' ' 9' ' ' THR . 29.7 mm-40 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 19' ' ' LEU . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.904 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD11 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' HD11 ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.766 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.726 HD22 ' HB1' ' B' ' 131' ' ' ALA . 7.3 mt -77.37 -18.44 57.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' B' ' 116' ' ' LEU . 6.6 m-85 -88.46 -50.42 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 96.9 Cg_endo -80.87 -166.51 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.758 2.305 . . . . 0.0 112.074 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.88 -82.87 1.67 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.73 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -89.69 147.82 23.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 -179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.813 ' HA ' HD23 ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.683 ' HD3' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 53' ' ' LEU . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -71.91 -76.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.73 15.54 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm 63.01 133.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -62.74 171.51 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.7 132.02 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.82 31.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.562 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.623 HD22 ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.64 166.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.445 ' N ' HD22 ' A' ' 61' ' ' LEU . . . -178.21 39.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.76 -38.33 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.629 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t 75.42 138.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -58.8 127.21 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.88 178.39 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -167.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 71' ' ' GLY . 60.6 t 58.85 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 70' ' ' VAL . . . 165.26 -175.4 41.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.542 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -133.14 -175.77 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 72' ' ' GLU . 22.8 mm -129.74 141.76 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.08 -81.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.53 170.76 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.61 64.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -82.45 -169.87 2.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -179.01 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -96.04 80.29 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.39 22.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.562 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.56 -49.72 51.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -98.03 -18.14 18.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.852 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.05 179.933 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 74.27 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 32' ' ' LEU . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' MET . . . . . 0.6 ' HE2' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.605 HG22 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.631 ' OE1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 113' ' ' HIS . . . . . 0.85 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 0.6 OUTLIER -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.873 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.903 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.903 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.873 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.595 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.898 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 128' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.837 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' B' ' 136' ' ' PHE . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 134' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 135' ' ' LEU . . . . . 0.893 ' HB3' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -70.63 -19.98 62.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 136' ' ' PHE . . . . . 0.468 ' CZ ' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.24 62.78 66.28 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.817 178.44 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.468 ' HG3' ' O ' ' B' ' 134' ' ' ARG . 63.4 Cg_endo -92.25 164.23 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.614 2.209 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.84 76.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.11 -178.17 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.95 9.75 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.801 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.15 -54.3 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.54 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.04 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -69.25 -39.17 78.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.62 87.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -90.23 19.71 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.571 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -126.88 33.16 4.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.65 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.62 -29.91 69.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -31.12 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.536 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 1.3 m -153.68 91.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.9 ptp -87.16 103.1 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.14 -52.29 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 103.68 162.1 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.43 116.33 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 61.4 157.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 157' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 157' ' ' ILE . 1.5 pp -59.53 95.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -65.8 169.61 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -159.61 66.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 85.29 -6.87 78.24 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.805 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.27 -20.21 58.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -158.74 36.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 80.54 56.97 3.02 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.613 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 69.49 -64.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.2 t 72.7 89.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.9 m -136.79 159.48 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.8 t -88.68 50.67 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -30.99 42.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.766 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.03 149.05 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 170' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 171' ' ' GLY . 59.5 t 58.99 158.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.434 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 150.99 -45.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.03 145.92 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.61 110.9 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 -66.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 132.62 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.43 102.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.85 92.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 30.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.93 20.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.661 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -51.59 53.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -115.17 21.8 13.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.791 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.227 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD12 ' B' ' 106' ' ' ILE . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.696 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HB2' ' B' ' 102' ' ' SER . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.696 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.74 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.783 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 HG12 ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE2' HD13 ' A' ' 16' ' ' LEU . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.798 ' O ' HD21 ' B' ' 116' ' ' LEU . 19.7 mt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.488 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.892 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.915 HD12 HD12 ' A' ' 6' ' ' ILE . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.514 ' HE2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . 0.402 ' N ' ' HB2' ' A' ' 2' ' ' SER . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.589 HE22 HD21 ' A' ' 32' ' ' LEU . 9.1 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.673 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.809 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.673 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.425 HG23 ' HB3' ' B' ' 128' ' ' LYS . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.603 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.726 HD21 HD21 ' A' ' 35' ' ' LEU . 15.5 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.028 0.442 . . . . 0.0 111.698 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.781 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.781 HD11 HD21 ' A' ' 4' ' ' LEU . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.663 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.693 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.693 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.839 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.676 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 18' ' ' ALA . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HD22 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 ' HB1' ' B' ' 131' ' ' ALA . 23.6 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.877 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.877 HD11 HD21 ' B' ' 104' ' ' LEU . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.588 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.639 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.93 ' CD1' HD11 ' B' ' 116' ' ' LEU . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.639 ' OH ' HD22 ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.851 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 132' ' ' LEU . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.85 ' HB3' HD22 ' A' ' 16' ' ' LEU . 83.1 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' B' ' 106' ' ' ILE . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.791 ' C ' HD13 ' A' ' 6' ' ' ILE . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 132' ' ' LEU . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.615 ' HE1' HD12 ' B' ' 135' ' ' LEU . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.594 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.5 OUTLIER -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 7.6 t-160 -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.717 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.793 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 16' ' ' LEU . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 32' ' ' LEU . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.695 ' HB3' HD23 ' B' ' 135' ' ' LEU . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' B' ' 134' ' ' ARG . 53.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CE3' HD22 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.965 0.412 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.416 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.666 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.544 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.493 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' B' ' 109' ' ' THR . 0.4 OUTLIER -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.754 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.764 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 1.003 HD12 ' N ' ' B' ' 117' ' ' LYS . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 1.003 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.764 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.427 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.804 ' HA ' HD22 ' A' ' 35' ' ' LEU . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.829 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 16' ' ' LEU . 22.5 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.494 HG23 ' OG1' ' B' ' 105' ' ' THR . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.798 HD11 HD21 ' A' ' 4' ' ' LEU . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.475 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 2.2 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.512 ' O ' HD23 ' A' ' 16' ' ' LEU . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.889 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.951 HD11 HD22 ' B' ' 104' ' ' LEU . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.831 ' OH ' HD21 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.009 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.511 ' O ' HD11 ' B' ' 116' ' ' LEU . 18.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.413 ' HD3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.951 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 32' ' ' LEU . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 32' ' ' LEU . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.668 ' CE ' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.819 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 119' ' ' LEU . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.44 ' HG3' ' HG3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.772 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.772 HD12 ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 1.009 HD22 ' HB1' ' A' ' 31' ' ' ALA . 11.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 6' ' ' ILE . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 HD11 ' B' ' 135' ' ' LEU . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.849 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.809 ' O ' HD23 ' A' ' 16' ' ' LEU . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.869 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.9 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.794 HD21 ' HG ' ' B' ' 135' ' ' LEU . 4.2 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 47' ' ' GLN . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.61 ' HB3' HD23 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.918 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.75 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.75 HD11 HD21 ' B' ' 104' ' ' LEU . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.416 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' B' ' 112' ' ' GLN . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.41 ' HG3' ' OG1' ' B' ' 109' ' ' THR . 0.0 OUTLIER -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.756 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.933 HD23 ' HZ1' ' B' ' 117' ' ' LYS . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.933 ' HZ1' HD23 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.625 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.835 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.515 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.912 ' HA ' HD12 ' B' ' 135' ' ' LEU . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.611 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' B' ' 132' ' ' LEU . 6.0 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' B' ' 105' ' ' THR . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 HD13 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HD2' ' B' ' 103' ' ' ARG . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.581 HD12 HD12 ' B' ' 106' ' ' ILE . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.644 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.531 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.464 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.843 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' B' ' 106' ' ' ILE . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' OH ' HD22 ' A' ' 19' ' ' LEU . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.843 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.8 HD22 ' HB1' ' B' ' 131' ' ' ALA . 4.1 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.432 ' HA ' HD12 ' A' ' 49' ' ' LEU . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 46' ' ' TRP . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.377 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.596 ' HD2' HG22 ' A' ' 5' ' ' THR . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.692 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.539 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.692 HG12 HD11 ' B' ' 104' ' ' LEU . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.428 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.585 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.5 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.495 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 119' ' ' LEU . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.67 HD12 ' CE2' ' B' ' 130' ' ' TYR . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.825 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.518 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.812 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' B' ' 116' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.644 HD12 ' CE ' ' A' ' 8' ' ' MET . 19.4 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.037 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.635 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' B' ' 132' ' ' LEU . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.927 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 12' ' ' GLN . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' HB2' HG23 ' A' ' 9' ' ' THR . 1.1 mm100 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.519 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.512 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.899 HD11 HD22 ' B' ' 104' ' ' LEU . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.898 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.102 ' HB2' HD11 ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' B' ' 116' ' ' LEU . 24.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.544 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.485 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 5' ' ' THR . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.927 HD23 ' HE3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.777 ' N ' HD12 ' B' ' 104' ' ' LEU . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 1.102 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.523 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.653 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.544 ' O ' HD13 ' B' ' 116' ' ' LEU . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.758 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.927 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.927 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 122' ' ' LEU . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.758 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 118' ' ' ALA . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' B' ' 125' ' ' LYS . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.519 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 4' ' ' LEU . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.577 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.898 HD22 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mt . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.031 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.878 ' OG1' HG23 ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.943 HD12 HD12 ' B' ' 106' ' ' ILE . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.504 ' O ' HD11 ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.637 ' HE1' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.677 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 28' ' ' LYS . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.88 ' CD1' HD11 ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' OH ' HD22 ' A' ' 19' ' ' LEU . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.007 HD22 ' HB1' ' B' ' 131' ' ' ALA . 3.9 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 44' ' ' GLN . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 41' ' ' ASP . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.434 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.914 HD12 ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.914 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.658 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.878 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.943 HD12 HD12 ' A' ' 6' ' ' ILE . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.738 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.572 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.964 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.964 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.434 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.579 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.494 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.811 ' CD1' HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.579 ' OH ' HD22 ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 1.007 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.669 ' O ' HD22 ' B' ' 135' ' ' LEU . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.806 ' HB3' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.596 ' SD ' HG22 ' A' ' 6' ' ' ILE . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.712 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.3 t-160 -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.712 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.767 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.627 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.767 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HB3' HD23 ' B' ' 135' ' ' LEU . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' B' ' 134' ' ' ARG . 25.3 mt . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.459 0.015 0 CA-C-O 121.015 0.436 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.588 HD22 HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 6' ' ' ILE . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.476 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 23.0 t-160 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.918 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.918 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.544 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.45 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.853 ' CD1' HD21 ' B' ' 116' ' ' LEU . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' B' ' 126' ' ' THR . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.841 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.801 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 34' ' ' ARG . 10.5 mt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.869 0.366 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' B' ' 107' ' ' ASP . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.818 HD11 ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.925 ' HE1' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 13' ' ' HIS . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.715 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 26' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.854 ' O ' HD21 ' B' ' 116' ' ' LEU . 40.9 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.864 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.864 HD11 HD21 ' B' ' 104' ' ' LEU . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 3' ' ' ARG . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.467 ' CE ' HG21 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.716 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 4.5 t-160 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.698 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.716 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.44 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.698 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.609 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.906 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.58 ' OH ' HD22 ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.906 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' B' ' 135' ' ' LEU . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.925 HD13 ' HE1' ' A' ' 8' ' ' MET . 11.7 mt . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.049 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.049 HD11 HD21 ' A' ' 4' ' ' LEU . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.829 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.7 t-160 -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.022 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.813 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.733 HD21 HD21 ' B' ' 135' ' ' LEU . 10.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.582 ' HA ' HD13 ' A' ' 49' ' ' LEU . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 8' ' ' MET . 44.2 p . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 6' ' ' ILE . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 0.9 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.568 ' N ' ' HG3' ' B' ' 112' ' ' GLN . 15.7 t-160 -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.735 HD22 ' C ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.735 ' N ' HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.49 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.53 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.431 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.696 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' OH ' HD22 ' B' ' 119' ' ' LEU . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.843 ' HA ' HD12 ' B' ' 135' ' ' LEU . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 132' ' ' LEU . 5.7 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.925 HD22 ' NZ ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 HD11 ' A' ' 4' ' ' LEU . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.558 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' CE2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.64 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.826 ' CE2' HD12 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.64 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.751 ' O ' HD11 ' B' ' 116' ' ' LEU . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' GLN . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' CB ' ' HA ' ' A' ' 40' ' ' ALA . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ASP . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.61 HG22 ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.61 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.535 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.535 ' HB2' HG23 ' B' ' 109' ' ' THR . 12.5 mm100 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.684 ' CD2' ' HE3' ' B' ' 117' ' ' LYS . 10.1 t-80 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 35' ' ' LEU . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.969 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.64 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.454 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.936 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.649 ' HE2' HD13 ' B' ' 116' ' ' LEU . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.936 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.715 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.701 ' HB3' HD22 ' A' ' 16' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 127' ' ' ILE . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.785 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 8.5 t-80 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.824 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.014 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.981 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.854 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.854 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' SD ' ' B' ' 108' ' ' MET . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HB3' HD23 ' B' ' 135' ' ' LEU . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.824 HD22 HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD12 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.652 0.263 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.908 HD22 ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.668 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 26.1 mm100 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.737 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.827 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.824 HD22 HD22 ' A' ' 35' ' ' LEU . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.783 ' HG2' HG21 ' B' ' 127' ' ' ILE . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.827 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.592 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.754 ' CB ' HD21 ' A' ' 35' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.824 ' O ' HD21 ' A' ' 16' ' ' LEU . 35.4 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HD2' ' B' ' 103' ' ' ARG . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.07 HD12 HD12 ' B' ' 106' ' ' ILE . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.489 ' HE2' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.672 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.672 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.692 ' O ' HD23 ' A' ' 16' ' ' LEU . 6.3 t-160 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.815 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.735 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.903 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.773 HG13 ' HB2' ' A' ' 31' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.973 ' HG ' HD21 ' B' ' 135' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 1.07 HD12 HD12 ' A' ' 6' ' ' ILE . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.813 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' HB2' ' B' ' 112' ' ' GLN . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.438 ' HB2' HG23 ' B' ' 109' ' ' THR . 2.5 mm100 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.686 ' HA ' HD23 ' B' ' 116' ' ' LEU . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HA ' HG13 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.409 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.758 HD11 HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.786 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.973 HD21 ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.921 0.391 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.804 HD12 HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.737 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.602 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.788 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HG2' HG21 ' A' ' 27' ' ' ILE . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.939 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.939 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.917 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.659 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HD22 ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 46' ' ' TRP . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.809 HD11 HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.809 HG13 HD11 ' B' ' 104' ' ' LEU . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.492 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.509 HG23 ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.509 ' CB ' HG23 ' B' ' 109' ' ' THR . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.1 t-160 -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.709 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.748 HD11 HG13 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.444 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.818 HG13 ' HB2' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.654 ' OH ' HD22 ' B' ' 119' ' ' LEU . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.818 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 35' ' ' LEU . 27.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.586 ' N ' HD12 ' A' ' 4' ' ' LEU . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' B' ' 132' ' ' LEU . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.471 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.603 ' OE1' HD21 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.937 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.937 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.921 ' CD1' HD21 ' A' ' 16' ' ' LEU . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.586 ' O ' HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' B' ' 134' ' ' ARG . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' CE ' ' B' ' 108' ' ' MET . 17.3 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 134' ' ' ARG . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.586 HD11 ' O ' ' A' ' 28' ' ' LYS . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.671 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.721 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.721 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.499 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.78 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.78 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.973 ' HB2' HD11 ' A' ' 6' ' ' ILE . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.526 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.149 0 CA-C-O 120.976 0.417 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.585 ' CD ' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.925 HD11 HD21 ' A' ' 4' ' ' LEU . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.708 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 13.4 t-160 -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD12 HD23 ' B' ' 135' ' ' LEU . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' B' ' 135' ' ' LEU . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' B' ' 135' ' ' LEU . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.759 ' O ' HD21 ' B' ' 116' ' ' LEU . 14.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.493 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.585 HG22 ' CD ' ' A' ' 3' ' ' ARG . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.566 ' SD ' HG23 ' B' ' 106' ' ' ILE . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.655 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.794 ' HA ' HD23 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.604 HD13 HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.803 ' CZ ' HD11 ' B' ' 119' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.736 ' HB1' HD13 ' A' ' 35' ' ' LEU . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.708 HD12 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG23 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.732 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.832 HG22 ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.832 ' HB2' HG22 ' A' ' 9' ' ' THR . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.443 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.031 HD11 HD22 ' B' ' 104' ' ' LEU . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' B' ' 106' ' ' ILE . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD13 ' SD ' ' B' ' 108' ' ' MET . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' B' ' 134' ' ' ARG . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.719 ' HB3' HD22 ' B' ' 116' ' ' LEU . 42.3 mt . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CZ2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 1.031 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.945 HD11 HD21 ' B' ' 104' ' ' LEU . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.767 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.785 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 35' ' ' LEU . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.456 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.785 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.574 ' CE2' HD12 ' B' ' 116' ' ' LEU . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.567 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ARG . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.83 HD22 ' HB1' ' A' ' 31' ' ' ALA . 33.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD21 ' A' ' 4' ' ' LEU . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.787 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' H ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.776 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD13 ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLN . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 22' ' ' LEU . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.966 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HB3' HG23 ' A' ' 26' ' ' THR . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.759 ' HE2' HD13 ' A' ' 16' ' ' LEU . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD21 ' B' ' 116' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.743 0.306 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.787 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.741 HD11 HD21 ' B' ' 104' ' ' LEU . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.62 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.694 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.599 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.636 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.599 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.712 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.712 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.417 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 34' ' ' ARG . 13.8 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.562 ' HD3' HG22 ' B' ' 105' ' ' THR . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.791 ' SD ' HD13 ' B' ' 132' ' ' LEU . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.848 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.924 HD21 HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.924 HD12 HD21 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 19' ' ' LEU . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.912 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.604 ' O ' HD21 ' B' ' 116' ' ' LEU . 39.7 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 111.726 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.67 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.562 HG22 ' HD3' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.67 HG12 HD11 ' B' ' 104' ' ' LEU . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.428 HG23 ' OE1' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.793 ' O ' HD12 ' B' ' 119' ' ' LEU . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.604 HD21 ' O ' ' A' ' 35' ' ' LEU . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.793 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 122' ' ' LEU . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.605 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.553 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.791 HD13 ' SD ' ' A' ' 8' ' ' MET . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.582 HD22 ' HB1' ' A' ' 31' ' ' ALA . 14.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.996 0.427 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.405 HG22 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 4' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CB ' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD12 ' A' ' 27' ' ' ILE . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.79 HD12 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.893 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 mt . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 45' ' ' ALA . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.917 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.917 HD11 HD21 ' B' ' 104' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.774 ' HE1' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.478 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.934 HD12 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.934 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.583 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . 0.456 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.877 HG13 ' HB2' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.877 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.524 -0.023 0 CA-C-O 120.837 0.351 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 6' ' ' ILE . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 4' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.627 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.923 HG22 ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.923 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.579 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.765 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.805 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.945 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.539 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.698 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.865 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD11 ' O ' ' B' ' 107' ' ' ASP . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' B' ' 134' ' ' ARG . 83.3 mt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.572 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.572 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.733 ' O ' HD11 ' A' ' 32' ' ' LEU . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.59 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.72 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.622 HD13 ' HE2' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.72 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.51 ' HZ2' ' HA ' ' B' ' 128' ' ' LYS . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.622 ' HE2' HD13 ' B' ' 116' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 16' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 4' ' ' LEU . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 8' ' ' MET . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB2' ' N ' ' B' ' 102' ' ' SER . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.614 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.648 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.857 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.735 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 18' ' ' ALA . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.026 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.524 HH21 HD13 ' A' ' 16' ' ' LEU . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.744 HD12 ' CE ' ' B' ' 108' ' ' MET . 4.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t . . . . . 0 C--O 1.224 -0.261 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.68 HD11 ' CG1' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.68 ' CG1' HD11 ' B' ' 104' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.565 ' O ' HD11 ' A' ' 32' ' ' LEU . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.463 ' NE2' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.762 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.817 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.991 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.991 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.817 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.908 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . 0.577 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.809 ' HB3' HD22 ' A' ' 16' ' ' LEU . 14.7 mt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 108' ' ' MET . 67.0 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.955 0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.444 ' HA ' ' HG3' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' A' ' 9' ' ' THR . 5.9 mm100 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 t-160 -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 19' ' ' LEU . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.904 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD11 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' HD11 ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.766 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.726 HD22 ' HB1' ' B' ' 131' ' ' ALA . 7.3 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.813 ' HA ' HD23 ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.683 ' HD3' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 53' ' ' LEU . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 32' ' ' LEU . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 108' ' ' MET . . . . . 0.6 ' HE2' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.605 HG22 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.631 ' OE1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 113' ' ' HIS . . . . . 0.85 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 14.3 t-160 -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.873 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.903 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . 0.903 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.873 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.595 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 121' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.898 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.837 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . 0.893 ' HB3' HD23 ' A' ' 16' ' ' LEU . 14.4 mt . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.713 0.292 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -78.67 74.54 5.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 32.3 ttp180 -95.58 120.19 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -103.51 138.15 40.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.335 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 7.6 m -99.44 132.77 44.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.915 HD12 HD12 ' B' ' 106' ' ' ILE . 67.8 mt -128.89 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 1.3 p30 -97.77 124.14 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.187 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.59 162.82 27.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.696 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.696 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.37 141.59 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.983 0.421 . . . . 0.0 110.292 179.315 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HB2' ' B' ' 102' ' ' SER . 1.5 t0 -42.27 -61.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.68 -49.1 78.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.696 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -65.33 -49.36 69.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.74 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.2 t-160 -50.75 -30.38 13.85 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 120.656 0.265 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -71.51 -29.91 65.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.783 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.5 m -65.02 -49.63 69.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD23 ' CE2' ' B' ' 136' ' ' PHE . 1.1 mm? -81.94 -38.08 25.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.254 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -60.8 -49.93 75.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.98 0.419 . . . . 0.0 110.108 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.47 95.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.49 -34.25 70.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -58.39 -51.48 69.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.99 70.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.93 -36.19 76.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.107 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' OE1' ' CE1' ' A' ' 30' ' ' TYR . 1.1 mt-30 -76.86 -27.26 55.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.872 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.22 30.38 1.92 Allowed Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.906 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.29 -175.93 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 15.3 t -96.25 145.8 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 HG12 ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.21 -24.95 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.349 -179.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -60.41 -15.17 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -106.4 -50.03 3.22 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.929 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE2' HD13 ' A' ' 16' ' ' LEU . 55.6 t80 -64.6 -51.64 61.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.597 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -65.86 -31.91 73.12 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.238 0.542 . . . . 0.0 109.975 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -60.37 -51.53 69.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.65 -27.74 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -61.77 -26.02 67.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.798 ' O ' HD21 ' B' ' 116' ' ' LEU . 19.7 mt -78.36 -21.07 50.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.893 ' CE2' HD23 ' B' ' 116' ' ' LEU . 26.1 m-85 -121.73 47.96 1.49 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.224 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 89.4 Cg_endo -89.14 134.17 2.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.39 2.06 . . . . 0.0 112.253 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.51 88.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.734 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.5 149.13 18.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.88 9.98 2.84 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.727 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -101.12 -56.6 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.36 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -38.61 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.064 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.4 -33.3 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.21 29.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -19.51 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.08 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.172 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.44 -24.23 9.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.249 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.488 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.3 OUTLIER -60.79 -31.16 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 0.0 110.363 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -93.36 -22.37 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.473 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -58.18 -21.61 48.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -92.35 -81.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.17 96.55 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.31 4.71 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.56 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -44.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -126.36 102.92 7.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.1 mt -110.25 -24.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 62.89 120.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.14 -18.39 60.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.68 -68.98 1.23 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.59 170.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.05 -43.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 -28.3 55.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt 64.49 131.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -148.31 35.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.6 m 62.28 121.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -176.04 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -37.26 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.2 0.58 3.29 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.644 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.59 134.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.89 125.9 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -146.03 162.32 38.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mm -109.56 109.44 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.42 178.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 49.8 67.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -177.39 121.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.03 108.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 79' ' ' SER . 0.9 OUTLIER -125.21 172.59 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -71.68 -178.51 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.51 -128.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.7 t0 66.94 -70.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.759 0.314 . . . . 0.0 110.741 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -18.53 19.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.101 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.6 ttm . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -77.59 82.29 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 1.5 ttp180 -94.7 122.64 37.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.439 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.892 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.19 139.12 43.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.434 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 59.4 m -102.73 120.1 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.915 HD12 HD12 ' A' ' 6' ' ' ILE . 7.8 mt -112.95 138.5 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.239 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 17.4 p30 -96.83 124.84 40.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 110.204 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.514 ' HE2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.04 162.76 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.243 -179.157 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -83.49 136.73 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.402 ' N ' ' HB2' ' A' ' 2' ' ' SER . 0.4 OUTLIER -44.02 -41.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -69.09 -49.57 56.04 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.589 HE22 HD21 ' A' ' 32' ' ' LEU . 9.1 pt20 -65.69 -41.02 92.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.673 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.8 t-160 -52.18 -30.58 27.68 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.627 0.251 . . . . 0.0 111.415 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -72.66 -29.69 63.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.971 0.415 . . . . 0.0 110.266 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.809 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -69.04 -49.06 60.91 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.893 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.2 mm? -81.33 -38.23 27.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.531 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.673 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -61.32 -49.24 77.79 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.848 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.61 99.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.767 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.809 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.94 -41.52 87.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.979 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.79 -47.39 80.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.44 -33.33 69.3 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.487 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.68 -42.86 97.99 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -26.87 68.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.934 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.54 29.0 2.38 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.734 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.15 -176.17 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.425 HG23 ' HB3' ' B' ' 128' ' ' LYS . 12.8 t -99.05 145.04 27.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.354 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.3 OUTLIER -46.94 -34.4 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 2.7 tppp? -48.38 -26.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.103 0.478 . . . . 0.0 110.345 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.79 -49.34 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' B' ' 119' ' ' LEU . 44.7 t80 -58.93 -51.68 69.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.306 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.33 -35.42 80.31 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 110.095 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.6 tt -59.68 -51.24 70.64 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.995 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -67.86 -27.98 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.603 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -60.97 -28.37 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.726 HD21 HD21 ' A' ' 35' ' ' LEU . 15.5 mt -77.69 -24.51 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.969 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.802 ' CE2' HD23 ' A' ' 16' ' ' LEU . 3.8 m-85 -129.23 54.13 13.48 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.326 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 88.4 Cg_endo -88.83 104.38 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.637 2.225 . . . . 0.0 112.502 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.47 -150.83 19.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.586 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.48 105.0 13.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.319 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.08 -1.04 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.723 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.32 -49.08 65.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.37 -32.96 70.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.7 22.51 6.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.07 -54.77 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.99 83.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -69.65 -19.55 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -27.36 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -120.96 -25.76 5.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.86 -30.3 70.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.901 0.382 . . . . 0.0 110.46 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 -27.28 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.564 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.75 95.05 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.3 ttp -94.83 121.32 36.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.416 ' H ' HD23 ' B' ' 153' ' ' LEU . 0.5 OUTLIER -80.0 -31.13 39.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.13 -147.89 18.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.07 31.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.92 175.73 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 5.3 pt -96.1 174.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -60.53 165.93 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -160.45 63.24 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.47 -54.04 0.68 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.3 tp 55.19 108.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.879 0.371 . . . . 0.0 111.389 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -166.77 53.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.51 1.67 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -159.29 124.4 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.21 124.09 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.1 m -70.48 98.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.534 ' HB ' HG12 ' B' ' 170' ' ' VAL . 0.3 OUTLIER -60.47 128.82 38.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.69 21.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 18.1 m -86.51 -72.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.534 HG12 ' HB ' ' B' ' 167' ' ' THR . 0.3 OUTLIER -46.3 146.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.616 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 121.11 -34.04 4.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.532 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.14 88.79 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.1 mm -119.85 149.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.09 173.01 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.1 136.75 58.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.81 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -155.39 178.5 10.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.11 -36.75 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.7 p -141.33 104.03 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 159.8 -112.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.6 t0 68.37 -68.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.593 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -125.28 22.9 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.644 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.224 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.755 0.312 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.5 OUTLIER 42.53 45.6 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.698 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.07 119.76 39.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.006 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.781 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -109.08 137.76 46.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.791 0.329 . . . . 0.0 111.451 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 39.0 m -94.63 120.56 35.05 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.781 HD11 HD21 ' A' ' 4' ' ' LEU . 89.2 mt -107.59 147.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 25.6 t70 -106.73 124.17 49.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.887 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.663 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.43 162.17 28.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.949 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.693 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -84.14 139.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.394 . . . . 0.0 109.946 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -44.12 -60.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -49.5 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.693 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -65.24 -49.25 70.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.589 0.233 . . . . 0.0 111.527 -179.201 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 9.3 t-160 -49.75 -28.11 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.327 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.2 mt-30 -73.79 -31.79 63.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.839 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.8 -49.71 76.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.361 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.0 tp -82.16 -42.54 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.165 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.87 -43.78 97.93 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.57 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -65.85 -39.79 91.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.49 -40.8 97.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.358 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -46.68 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.265 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -31.89 67.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.66 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 18' ' ' ALA . 5.8 mp -68.72 -45.52 71.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.972 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -25.14 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.03 30.09 2.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 ptpt -160.03 -170.45 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.701 0.286 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -105.29 144.83 31.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.58 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HD22 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -43.72 -36.42 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.256 -179.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HD2' HG23 ' B' ' 106' ' ' ILE . 0.2 OUTLIER -49.93 -20.73 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.806 179.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -103.17 -51.06 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.256 0.55 . . . . 0.0 110.404 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 16' ' ' LEU . 46.4 t80 -64.97 -52.07 58.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.069 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.42 -38.29 87.11 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.651 0.738 . . . . 0.0 110.133 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 15.3 tp -54.59 -51.05 66.54 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.396 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.41 -27.75 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.666 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.55 -9.4 59.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.695 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.791 HD22 ' HB1' ' B' ' 131' ' ' ALA . 23.6 mt -77.17 -22.97 51.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 109.922 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.23 61.6 58.03 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.05 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HG2' ' B' ' 134' ' ' ARG . 88.1 Cg_endo -85.68 -47.21 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.682 2.254 . . . . 0.0 112.721 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.38 95.28 0.07 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.65 108.1 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -7.79 53.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.654 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -56.31 -30.7 62.89 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.128 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.66 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.6 -30.09 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -90.58 -24.3 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.223 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.01 -47.11 71.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.326 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 49' ' ' LEU . 75.0 m95 -72.99 -18.29 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -22.71 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -95.93 -4.58 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.299 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CE3' ' A' ' 46' ' ' TRP . 31.8 mt -60.7 -32.44 71.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.084 0.469 . . . . 0.0 110.02 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 -23.76 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.501 HG21 ' H ' ' B' ' 167' ' ' THR . 0.3 OUTLIER -96.45 105.46 17.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.66 156.04 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.92 115.53 28.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.9 -39.83 3.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.48 -174.75 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -121.23 166.5 13.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 58' ' ' ASN . 9.7 tp -88.85 154.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 57' ' ' ILE . 4.6 t30 -155.54 131.9 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.81 157.47 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.7 64.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.15 117.91 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.72 -48.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.46 26.81 19.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.599 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG23 ' A' ' 65' ' ' VAL . 11.0 tppt? 65.48 -73.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 66' ' ' SER . 92.0 t -141.11 -96.36 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.53 ' N ' HG12 ' A' ' 65' ' ' VAL . 2.3 m -165.24 51.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER 62.07 -168.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' H ' HG22 ' A' ' 67' ' ' THR . 0.0 OUTLIER -52.09 -79.54 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.057 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 -163.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.002 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 70' ' ' VAL . 74.5 t 56.55 72.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.62 -168.0 0.91 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.818 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -136.32 121.64 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mm 61.95 115.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -105.62 145.32 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -11.97 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.445 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.2 -169.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.27 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -94.46 149.55 21.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 t -169.68 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 31.47 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.31 80.57 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.784 0.326 . . . . 0.0 110.718 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 61.59 22.16 12.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.24 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.21 80.56 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.734 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.3 ttm-85 -94.67 121.1 35.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.877 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.69 129.91 54.98 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 19.3 m -98.98 120.91 40.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.877 HD11 HD21 ' B' ' 104' ' ' LEU . 15.3 mt -116.16 140.03 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.33 125.33 41.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.588 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.71 162.27 25.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.087 0.47 . . . . 0.0 111.568 -177.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 153.18 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -54.87 -49.88 70.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.512 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 0.0 OUTLIER -69.23 -49.53 55.46 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -49.2 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -50.03 -46.69 53.2 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' B' ' 111' ' ' GLN . 13.4 pt20 -64.76 -30.97 72.0 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 t -60.61 -49.32 78.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.93 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.2 OUTLIER -81.62 -31.08 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.19 -47.32 83.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.288 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.94 96.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.506 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.639 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.74 -32.94 69.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.895 0.378 . . . . 0.0 110.532 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -62.84 -50.99 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.564 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.63 69.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -59.99 -46.55 89.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -29.65 70.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.36 31.31 1.41 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.924 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -160.3 -175.98 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 4.8 t -96.64 148.03 23.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.077 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.93 ' CD1' HD11 ' B' ' 116' ' ' LEU . 1.5 tt -48.68 -34.65 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.907 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 5' ' ' THR . 4.8 mmmp? -51.43 -23.04 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 110.528 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -101.31 -50.08 3.87 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.5 0.667 . . . . 0.0 109.824 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.639 ' OH ' HD22 ' B' ' 119' ' ' LEU . 65.9 t80 -62.05 -50.26 72.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.695 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.851 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.09 -31.99 73.48 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.286 0.565 . . . . 0.0 110.339 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.554 HD13 ' C ' ' B' ' 132' ' ' LEU . 3.4 tm? -60.44 -51.63 68.67 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.522 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.71 -30.53 64.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -59.14 -30.24 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.764 -179.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.85 ' HB3' HD22 ' A' ' 16' ' ' LEU . 83.1 mt -77.22 -19.99 55.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.771 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.503 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 3.6 m-85 -133.15 55.33 16.36 Favored Pre-proline 0 N--CA 1.453 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.538 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 89.7 Cg_endo -89.07 -49.4 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.715 2.277 . . . . 0.0 112.719 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.25 112.25 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.201 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.09 160.86 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.45 78.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -61.22 -38.81 87.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' B' ' 146' ' ' TRP . . . -68.77 -30.58 69.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.8 -27.08 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -108.29 -37.05 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.65 -58.56 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.413 ' CD1' ' HB1' ' B' ' 142' ' ' ALA . 83.2 m95 -67.9 -15.02 63.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 28.45 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -147.66 -41.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.71 -29.97 69.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -102.71 -2.75 27.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.429 HG23 ' CG1' ' B' ' 170' ' ' VAL . 52.2 m -68.96 -30.59 69.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -66.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.987 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -116.47 155.31 16.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -134.54 148.94 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.26 174.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.495 HG22 ' N ' ' B' ' 158' ' ' ASN . 24.7 mm -98.39 159.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.495 ' N ' HG22 ' B' ' 157' ' ' ILE . 5.0 m-20 -58.59 87.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.6 107.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -102.27 83.38 0.46 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.526 HD21 ' HE3' ' B' ' 164' ' ' LYS . 2.1 pp -61.54 -41.16 96.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . 0.419 ' N ' HD12 ' B' ' 161' ' ' LEU . . . -176.84 42.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.69 83.3 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.412 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.526 ' HE3' HD21 ' B' ' 161' ' ' LEU . 13.6 mmmm -60.86 177.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.345 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.79 138.57 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 43.3 t -58.19 88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.501 ' H ' HG21 ' A' ' 51' ' ' THR . 19.2 m -60.89 -58.64 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 70' ' ' VAL . 6.3 tptp 61.07 85.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . 0.44 ' OG ' HG22 ' B' ' 167' ' ' THR . 2.5 p -176.41 177.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.429 ' CG1' HG23 ' B' ' 151' ' ' THR . 54.7 t 59.17 156.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.075 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.406 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 122.39 165.69 12.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . 0.85 ' O ' HD13 ' B' ' 173' ' ' ILE . 0.0 OUTLIER -92.07 111.25 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.85 HD13 ' O ' ' B' ' 172' ' ' GLU . 12.6 mm -136.98 162.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.467 ' N ' HG22 ' B' ' 173' ' ' ILE . 3.3 mp -115.77 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 127.5 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -175.82 107.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.81 100.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.9 mp 66.58 -70.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.251 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 21.0 p -77.08 119.79 21.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.34 35.85 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.677 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -49.54 62.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.951 0.405 . . . . 0.0 110.497 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 15.93 13.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.85 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.258 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.802 0.335 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 89.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' B' ' 106' ' ' ILE . 3.9 mtt180 -99.06 119.94 38.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -108.27 139.08 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.765 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.791 ' C ' HD13 ' A' ' 6' ' ' ILE . 3.2 m -91.62 144.19 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.693 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -129.72 140.15 49.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.132 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.463 ' O ' HD11 ' B' ' 132' ' ' LEU . 34.8 t0 -97.19 122.28 40.03 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.615 ' HE1' HD12 ' B' ' 135' ' ' LEU . 1.0 OUTLIER -130.75 162.51 29.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.909 -177.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.594 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -89.94 152.21 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 178.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -56.02 -57.46 12.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -58.86 -49.28 78.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.594 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.5 OUTLIER -65.37 -49.28 69.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 7.6 t-160 -50.06 -24.54 2.73 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 111.597 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.15 -29.98 64.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.007 0.432 . . . . 0.0 110.196 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.717 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.73 -49.11 67.05 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' B' ' 135' ' ' LEU . 3.2 tp -81.25 -42.76 20.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -58.35 -49.98 75.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.987 0.422 . . . . 0.0 110.041 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.01 91.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.664 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.21 -35.16 73.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.641 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -60.57 -48.68 80.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.04 66.68 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.649 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.65 -36.5 70.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -61.97 -27.58 68.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.09 23.1 4.34 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.812 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -160.24 -174.86 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -91.22 143.16 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.793 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.97 -38.6 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER -47.65 -29.02 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.357 0.599 . . . . 0.0 109.554 178.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -93.3 -52.71 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.58 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 16' ' ' LEU . 66.3 t80 -58.8 -50.53 73.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.124 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -65.32 -36.54 84.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.491 0.662 . . . . 0.0 109.594 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -58.62 -51.47 69.77 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.596 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 32' ' ' LEU . 1.7 mt-10 -68.19 -27.81 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.215 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.695 ' HB3' HD23 ' B' ' 135' ' ' LEU . 8.9 tpt180 -65.53 -27.35 68.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.829 HD23 ' HB3' ' B' ' 134' ' ' ARG . 53.4 mt -77.88 -19.76 54.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.378 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' CE2' HD23 ' B' ' 116' ' ' LEU . 72.2 m-85 -119.39 48.74 1.14 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.673 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 97.3 Cg_endo -85.65 -46.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.241 1.961 . . . . 0.0 112.633 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.26 -157.24 27.23 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.26 154.61 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.35 12.88 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.734 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.04 -57.41 3.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.96 79.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.293 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -63.25 -24.71 67.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -58.58 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.389 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' CE3' HD22 ' A' ' 49' ' ' LEU . 88.9 m95 -70.39 -21.53 62.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.294 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.39 -23.06 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -90.62 -21.53 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 46' ' ' TRP . 1.7 mp -60.31 -29.86 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.102 0.477 . . . . 0.0 110.01 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -19.63 13.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.557 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HA ' ' B' ' 149' ' ' LEU . 0.2 OUTLIER -143.16 83.3 1.78 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -38.95 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB2' HG22 ' A' ' 73' ' ' ILE . 20.2 mt -59.2 137.04 58.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 108.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 40.6 m-20 -106.3 -178.0 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER 41.04 -165.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.823 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 56' ' ' ARG . 1.2 pp -159.68 69.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' HB2' ' HD2' ' A' ' 56' ' ' ARG . 27.1 t30 -76.56 151.4 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.85 164.08 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -114.69 -14.99 8.32 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.682 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.67 -71.16 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 111.586 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -177.12 37.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 0.0 111.236 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.03 -40.25 2.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.633 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 67.55 -69.46 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.2 154.11 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 t -138.42 78.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -18.79 12.85 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 118.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 p -158.96 -57.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' B' ' 150' ' ' LYS . 42.4 t 60.33 155.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.99 104.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.716 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.8 tp10 -166.63 140.77 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.053 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' B' ' 172' ' ' GLU . 0.1 OUTLIER -159.61 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -136.67 153.91 50.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.98 170.91 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 59.4 101.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.51 42.9 1.1 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 mt -60.07 -30.36 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 143.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.37 -51.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.62 ' CB ' HD21 ' B' ' 153' ' ' LEU . 0.6 OUTLIER -54.41 -36.43 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.963 0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HD2' ' HB ' ' B' ' 151' ' ' THR . 0.0 OUTLIER -109.92 -11.78 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.906 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.078 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.01 73.13 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 1.5 mtm-85 -96.77 123.41 40.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.665 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -122.51 139.69 53.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.497 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.416 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 74.0 m -96.28 120.75 37.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.666 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -93.63 131.4 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -97.31 122.34 40.23 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.544 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -130.88 162.06 30.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.577 -179.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.493 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.2 t -87.47 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.017 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -36.14 -56.09 0.76 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -49.05 61.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' B' ' 109' ' ' THR . 0.4 OUTLIER -55.97 -49.66 72.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.754 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 15.1 t-160 -53.27 -38.3 62.94 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -71.23 -26.84 63.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.764 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -65.41 -50.85 63.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.341 -179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 1.003 HD12 ' N ' ' B' ' 117' ' ' LYS . 2.5 pp -82.81 -35.78 26.13 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.29 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 1.003 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -56.85 -50.44 72.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.985 0.421 . . . . 0.0 109.866 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.75 93.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.485 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.764 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -59.37 -41.94 90.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.618 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.93 -43.81 81.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.251 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.91 66.04 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.542 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -22.5 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.476 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -90.16 36.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 51.06 34.53 31.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.005 -0.616 . . . . 0.0 113.085 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.5 ptpp? -160.18 -164.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.683 0.278 . . . . 0.0 110.765 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.427 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 2.8 p -121.4 153.62 37.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.875 ' CD1' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -52.19 -36.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.637 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -54.16 -18.23 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.078 0.466 . . . . 0.0 109.853 178.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -54.84 2.42 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.304 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -58.8 -51.41 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.806 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.804 ' HA ' HD22 ' A' ' 35' ' ' LEU . . . -65.82 -31.71 72.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.349 0.595 . . . . 0.0 110.363 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -62.56 -51.66 66.49 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.999 -179.08 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.51 -28.06 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.829 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -63.24 -29.91 71.15 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 16' ' ' LEU . 22.5 mt -77.26 -19.87 55.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 16' ' ' LEU . 1.9 m-85 -132.79 58.06 33.0 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.1 Cg_endo -93.18 111.38 0.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.817 2.344 . . . . 0.0 113.003 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' B' ' 146' ' ' TRP . . . 91.05 109.43 1.52 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.849 ' O ' ' HB3' ' B' ' 145' ' ' ALA . 11.9 t0 -160.25 170.8 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' B' ' 147' ' ' GLN . . . -102.29 41.08 1.26 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.469 1.128 . . . . 0.0 109.977 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 143' ' ' ASP . 1.1 m-20 -119.7 -52.37 2.23 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 102.155 -3.276 . . . . 0.0 102.155 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.969 ' O ' ' HB2' ' B' ' 145' ' ' ALA . . . -62.07 80.78 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.246 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . 0.67 ' O ' ' C ' ' B' ' 144' ' ' GLN . 3.0 t70 62.15 43.24 8.84 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.146 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.67 ' C ' ' O ' ' B' ' 143' ' ' ASP . 0.1 OUTLIER 38.63 33.92 0.08 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.969 ' HB2' ' O ' ' B' ' 142' ' ' ALA . . . -40.83 -52.9 2.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.911 -176.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' B' ' 138' ' ' GLY . 18.3 m0 -87.87 13.35 10.97 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 112.907 -1.951 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . 0.571 ' HB2' ' HB1' ' B' ' 140' ' ' ALA . 0.0 OUTLIER -106.72 -19.9 13.51 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.696 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.829 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 4.7 tt0 -112.06 -7.64 14.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.694 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.594 ' HA ' HG21 ' A' ' 51' ' ' THR . 12.7 tp -70.96 -35.32 72.12 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.624 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . 0.558 ' HA ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -90.32 46.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 4.4 m 68.02 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.43 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . 0.829 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 0.0 OUTLIER -168.38 100.65 0.43 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.232 -178.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.62 HD21 ' CB ' ' A' ' 81' ' ' ASP . 0.7 OUTLIER -113.41 -175.61 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.88 30.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.561 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -113.0 -48.3 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . 0.449 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.2 OUTLIER 59.51 102.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.449 HD13 ' O ' ' B' ' 156' ' ' ARG . 25.8 mm -128.61 127.7 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.73 112.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -67.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 66.88 38.7 93.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 37.4 mt -110.84 26.86 10.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . 62.43 93.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 119.87 -25.26 7.62 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 67.33 162.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 4.1 m 42.13 92.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.863 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 12.6 t -119.13 -44.69 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -177.07 49.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 40.62 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 78.7 p -175.34 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.648 ' O ' HG13 ' B' ' 170' ' ' VAL . 12.4 p -54.46 99.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.7 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 58.98 -155.44 26.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.594 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . 0.724 ' HB2' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -154.73 -168.3 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.478 HG22 ' N ' ' B' ' 174' ' ' LEU . 25.1 mm -98.16 159.34 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.599 ' N ' HD22 ' B' ' 174' ' ' LEU . 2.7 mm? -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.56 133.3 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 62.25 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.199 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.81 110.47 0.81 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.971 0.415 . . . . 0.0 111.091 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 2.8 mt -89.88 136.06 33.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.47 153.04 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 182' ' ' ARG . . . -87.11 -114.61 1.0 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.29 -76.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . 0.491 ' HD3' HG11 ' B' ' 170' ' ' VAL . 2.3 tpm_? -103.0 37.28 2.0 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.254 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.787 0.327 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 91.06 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.78 124.33 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.814 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -102.86 134.66 45.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 HG23 ' OG1' ' B' ' 105' ' ' THR . 1.3 m -102.49 120.81 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.798 HD11 HD21 ' A' ' 4' ' ' LEU . 4.6 mt -119.07 137.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.691 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.475 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 13.4 t70 -97.22 124.3 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -129.18 162.8 26.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.009 -178.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' GLN . 2.8 t -86.68 160.99 18.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.211 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -44.4 -68.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -58.73 -39.46 80.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' NE2' ' CZ ' ' B' ' 136' ' ' PHE . 2.2 tt0 -65.37 -49.21 70.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' O ' HD23 ' A' ' 16' ' ' LEU . 11.8 t-160 -60.37 -31.78 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.63 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 15.2 pt20 -80.2 -36.16 35.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.759 0.314 . . . . 0.0 110.642 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.889 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -81.32 -40.86 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -66.96 -33.42 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.125 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.48 -46.87 62.92 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.856 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.0 -32.4 69.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.068 -178.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -37.61 71.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.07 0.462 . . . . 0.0 110.286 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.46 -30.8 66.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.95 -27.54 68.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.515 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -91.74 30.06 1.43 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.542 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.88 32.56 48.6 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.813 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -151.74 173.73 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.646 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.4 t -97.95 157.8 15.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.459 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.951 HD11 HD22 ' B' ' 104' ' ' LEU . 3.0 tt -53.41 -28.89 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.737 0.303 . . . . 0.0 110.698 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.3 OUTLIER -65.58 -10.06 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.157 178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.21 -60.84 1.59 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.737 0.78 . . . . 0.0 110.028 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.831 ' OH ' HD21 ' A' ' 19' ' ' LEU . 3.6 t80 -58.81 -50.2 74.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.591 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.009 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -65.47 -42.47 92.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.447 0.641 . . . . 0.0 109.915 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.9 tt -56.03 -51.38 68.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.899 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.13 -27.99 69.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.163 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -59.46 -32.73 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.511 ' O ' HD11 ' B' ' 116' ' ' LEU . 18.5 mt -77.67 -22.65 50.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.745 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CE1' HD23 ' B' ' 116' ' ' LEU . 7.8 m-85 -129.57 52.38 9.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 97.6 Cg_endo -90.05 139.21 3.05 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.538 2.159 . . . . 0.0 112.327 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.6 -77.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.66 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.56 156.05 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.04 15.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.6 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 -38.25 51.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.198 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -43.11 88.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.86 -43.35 30.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.999 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.04 -32.53 69.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.57 45.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.204 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -90.35 24.19 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.376 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -108.22 -23.32 11.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.46 -24.05 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.77 -30.02 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 110.445 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -28.69 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -162.99 109.79 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.6 ttm -100.69 144.94 29.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 mt -95.06 110.11 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.64 97.85 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -132.66 60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -159.26 -172.89 3.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 tt -56.97 154.78 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -176.31 146.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 75.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.87 66.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.551 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 44.85 -165.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 111.36 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.37 -75.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 65' ' ' VAL . . . -138.42 19.87 3.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.405 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 65' ' ' VAL . 9.0 tppt? 60.28 -80.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 64' ' ' LYS . 7.8 m -107.46 171.56 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.834 0.35 . . . . 0.0 111.082 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 m 59.26 69.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -62.77 -38.81 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 108.32 19.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -149.09 -167.28 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t 47.33 93.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.29 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.76 165.65 10.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.52 94.39 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.7 mm 62.96 86.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 74' ' ' LEU . 2.7 mp -67.39 156.16 37.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.94 139.64 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.4 168.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.8 110.66 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.16 -65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 58.13 32.87 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.04 -103.35 0.28 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.06 -71.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.884 0.374 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -120.27 20.51 11.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.219 -179.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -86.61 54.62 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.413 ' HD3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -98.24 120.24 38.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.157 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.951 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.5 139.41 34.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.601 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.504 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 53.1 m -109.17 119.77 40.51 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 32' ' ' LEU . 18.3 tt -113.34 144.16 21.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 32' ' ' LEU . 35.2 t70 -97.65 124.38 41.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.668 ' CE ' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.27 163.43 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.408 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.73 147.67 28.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.84 0.353 . . . . 0.0 110.264 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -41.67 -71.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -36.73 75.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.673 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.402 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -64.41 -49.3 72.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.744 0.307 . . . . 0.0 111.475 -179.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 19.3 t-160 -60.2 -34.0 73.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.237 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.38 -31.34 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.612 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -63.3 -49.76 72.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.457 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.776 HD23 ' CE1' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -81.89 -40.85 21.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.305 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.02 -38.37 82.47 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.114 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.819 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -63.36 -39.54 94.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.591 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.89 -49.82 74.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.76 -30.75 65.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.989 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 119' ' ' LEU . 0.3 OUTLIER -59.8 -48.16 82.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.899 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.44 ' HG3' ' HG3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -68.91 -25.72 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.99 38.77 0.73 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.667 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.35 -179.78 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.657 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.9 p -102.39 142.68 33.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.323 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -46.81 -36.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.772 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -51.47 -18.94 1.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.694 179.245 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 -49.82 3.11 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.37 0.605 . . . . 0.0 110.44 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -65.2 -52.44 54.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.378 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' B' ' 127' ' ' ILE . . . -67.18 -34.71 78.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.32 0.581 . . . . 0.0 110.527 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.772 HD12 ' O ' ' B' ' 128' ' ' LYS . 0.7 OUTLIER -55.25 -51.71 65.74 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.19 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.76 -28.83 62.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.865 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -77.02 -11.78 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 1.009 HD22 ' HB1' ' A' ' 31' ' ' ALA . 11.8 mt -73.09 -25.29 60.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.478 ' CZ ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -132.84 66.31 76.09 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.498 ' HD3' ' HG2' ' A' ' 34' ' ' ARG . 39.4 Cg_exo -59.31 -63.9 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.084 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.81 176.19 29.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.35 160.08 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.74 66.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.07 -33.93 65.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.52 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -27.69 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -56.43 -41.0 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.65 75.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -89.18 8.53 29.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.35 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -10.82 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.66 -32.47 71.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.067 0.461 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -15.46 13.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.563 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.5 m -120.72 48.47 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.4 ttt -83.18 168.65 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.87 161.57 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -159.84 -52.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.591 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.73 -173.56 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -37.85 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.1 150.55 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -61.1 151.19 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -126.33 77.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.664 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.11 138.78 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.73 53.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 58.31 88.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.598 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 2.8 mmpt? -62.84 -44.07 97.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.051 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 165' ' ' VAL . 15.7 t 59.35 26.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.069 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.578 HG23 ' HD2' ' B' ' 168' ' ' LYS . 9.7 t -59.81 -179.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . 0.578 ' HD2' HG23 ' B' ' 167' ' ' THR . 0.0 OUTLIER 62.27 117.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 -41.23 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.479 HG12 ' N ' ' B' ' 171' ' ' GLY . 21.6 t -118.38 159.1 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.479 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 108.52 59.86 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.5 -68.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.35 150.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.92 -62.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.88 124.05 19.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 58.48 72.36 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.39 65.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.82 149.53 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.85 30.51 20.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -168.91 -105.16 0.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 66.66 -70.48 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.29 14.32 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.027 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.2 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.8 0.334 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.5 OUTLIER -77.51 84.63 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 2.8 ttt85 -95.55 122.0 37.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 6' ' ' ILE . 2.5 tp -109.48 133.27 53.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 0.3 OUTLIER -95.73 134.45 38.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.692 178.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 HD11 ' B' ' 135' ' ' LEU . 77.4 mt -130.03 140.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 111.863 -178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 37.6 p-10 -97.78 125.33 42.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.757 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.849 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.26 162.24 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.031 -179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -83.75 153.0 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.741 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.39 -68.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.898 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.03 -49.04 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.707 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -49.04 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.415 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.809 ' O ' HD23 ' A' ' 16' ' ' LEU . 2.9 t-160 -57.86 -35.15 70.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.79 -30.28 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -60.95 -49.56 76.94 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.157 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -81.97 -38.58 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.785 179.311 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.85 -49.71 74.64 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.977 0.417 . . . . 0.0 109.878 179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.88 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.331 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.82 -38.35 90.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -57.49 -49.03 77.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.473 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.34 -31.05 66.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.58 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.73 -46.85 70.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.916 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -26.95 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.61 3.09 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.744 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.8 ptpt -160.07 -176.19 5.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.767 0.318 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 t -95.04 144.96 25.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.869 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -46.86 -35.78 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.891 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 10.1 mmmm -50.36 -23.64 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.163 0.506 . . . . 0.0 110.3 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -55.44 2.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.56 -50.1 75.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.063 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.9 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -65.16 -31.5 72.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.263 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -67.86 -51.2 51.07 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.36 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.58 -30.37 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.978 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -28.68 65.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.794 HD21 ' HG ' ' B' ' 135' ' ' LEU . 4.2 mt -77.54 -19.83 55.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.326 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' B' ' 112' ' ' GLN . 9.6 m-85 -131.43 57.34 30.3 Favored Pre-proline 0 N--CA 1.454 -0.262 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.172 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 90.0 Cg_endo -90.19 43.26 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.686 2.257 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 154.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.631 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -140.04 153.38 46.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.84 12.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.751 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.28 -45.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.01 -51.41 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.218 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -31.05 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 47' ' ' GLN . 30.9 tt0 -88.43 -7.86 55.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.66 -53.67 25.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.783 0.325 . . . . 0.0 111.545 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.61 ' HB3' HD23 ' A' ' 49' ' ' LEU . 14.9 m95 -86.74 -29.41 22.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 111.555 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -50.1 -23.58 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.514 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.52 -20.55 18.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.74 -29.96 69.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.943 0.401 . . . . 0.0 110.343 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -35.73 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.662 HG23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -127.5 88.61 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -92.88 39.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.6 pp -103.96 139.35 39.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.768 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.667 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -152.29 -45.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.99 84.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.034 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mt 58.83 75.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.05 118.03 34.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.47 119.32 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.87 -80.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.571 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 tp 51.22 67.42 0.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.863 0.363 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.1 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.91 27.94 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 56.44 83.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 66' ' ' SER . 27.9 t 60.91 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.487 ' N ' HG12 ' A' ' 65' ' ' VAL . 2.2 t -111.91 139.86 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 t -177.57 135.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 132.81 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.082 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 58.68 169.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.662 HG13 HG23 ' A' ' 51' ' ' THR . 28.2 t -153.92 144.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.19 -148.82 19.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 73' ' ' ILE . 12.5 mt-10 -112.53 28.0 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.638 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -130.68 115.2 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.71 163.67 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.47 -35.89 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.59 143.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.43 111.66 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 79' ' ' SER . 1.1 pp -170.76 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -151.72 119.55 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.31 145.68 6.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -40.13 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 110.756 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -108.73 -19.49 13.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.905 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.071 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -103.18 85.06 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 17.4 ttm105 -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.75 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -118.22 124.96 49.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.4 m -93.33 120.33 33.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.75 HD11 HD21 ' B' ' 104' ' ' LEU . 7.1 mt -111.51 140.69 29.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.57 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 16.5 t0 -97.73 124.06 41.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.041 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.416 ' HE2' ' CG2' ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.44 162.54 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.717 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' B' ' 112' ' ' GLN . 0.6 OUTLIER -83.55 156.05 22.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.195 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 114' ' ' GLN . 1.7 t70 -45.65 -35.42 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.851 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.99 -48.14 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.634 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -58.45 -49.1 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.477 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.756 ' CD2' ' HD3' ' B' ' 117' ' ' LYS . 1.0 OUTLIER -59.49 -16.71 26.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.382 0.61 . . . . 0.0 111.067 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 28.7 mt-30 -87.78 -49.74 6.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.329 0.585 . . . . 0.0 112.097 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -68.98 -49.91 53.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.933 HD23 ' HZ1' ' B' ' 117' ' ' LYS . 12.2 tp -71.11 -38.98 72.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.698 0.285 . . . . 0.0 111.335 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.933 ' HZ1' HD23 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -69.25 -36.77 77.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 0.0 109.482 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -60.62 -41.73 95.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -71.13 -32.82 69.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.625 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.45 -51.46 69.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.542 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.62 -32.74 68.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.779 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.84 -42.07 90.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.953 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -14.75 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 99.08 34.55 5.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.182 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.5 OUTLIER -159.92 -175.69 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 0.0 110.647 -179.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 10.4 t -100.05 144.55 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.95 0.405 . . . . 0.0 110.723 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.835 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -44.12 -43.54 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.199 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.515 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.7 OUTLIER -48.58 -27.45 2.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.046 0.451 . . . . 0.0 110.533 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.06 -48.09 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.756 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' B' ' 116' ' ' LEU . 32.0 t80 -58.77 -50.58 73.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.182 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.835 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.65 -31.98 73.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.501 0.667 . . . . 0.0 109.752 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.912 ' HA ' HD12 ' B' ' 135' ' ' LEU . 0.8 OUTLIER -55.01 -48.5 73.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.258 -179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.5 -27.84 64.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.611 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -81.06 -18.55 46.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.471 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' B' ' 132' ' ' LEU . 6.0 mt -77.01 -19.97 56.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.34 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.555 ' CZ ' HD23 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -132.97 61.86 58.66 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 7.2 Cg_exo -72.62 -160.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.549 2.166 . . . . 0.0 112.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.56 158.4 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.734 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.12 106.78 3.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.752 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -84.21 6.37 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.898 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.33 -32.23 66.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.59 70.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -56.9 -29.42 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -100.03 -54.57 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.1 -71.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.034 0.445 . . . . 0.0 111.548 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -48.74 65.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.478 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -57.12 -22.44 39.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.679 ' OE2' HG21 ' B' ' 151' ' ' THR . 6.5 tp10 -95.64 -8.49 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.292 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -29.98 69.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -24.77 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.679 HG21 ' OE2' ' B' ' 148' ' ' GLU . 89.1 m -61.4 -31.86 71.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 3.8 ttt -125.12 112.85 16.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.603 HD22 ' OD1' ' B' ' 158' ' ' ASN . 29.7 mt -110.39 175.61 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -137.1 -123.62 2.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -120.7 -52.44 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -107.16 148.83 28.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.93 138.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.603 ' OD1' HD22 ' B' ' 153' ' ' LEU . 0.5 OUTLIER -176.39 84.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.19 127.31 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -168.71 39.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.23 78.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.25 75.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 60.33 -102.09 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.298 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -156.74 -48.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.769 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 165' ' ' VAL . 3.0 p 42.28 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.615 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.8 p -121.51 66.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.1 p -61.45 -70.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 -179.55 4.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 15.5 m -100.76 145.11 28.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.588 HG13 ' O ' ' B' ' 151' ' ' THR . 38.8 t -74.86 144.68 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.66 113.91 0.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.624 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.64 176.26 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm 63.99 95.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.12 164.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.89 150.05 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.74 -68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.87 -169.39 0.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.93 168.42 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 75.2 m -150.07 130.68 13.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.36 -39.86 2.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.565 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -34.95 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.356 . . . . 0.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -17.53 13.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.99 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.09 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 24.72 7.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' B' ' 105' ' ' THR . 23.4 ttm105 -94.89 119.82 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 HD13 HD13 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -107.61 139.6 41.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.092 0.473 . . . . 0.0 112.206 -178.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 HG22 ' HD2' ' B' ' 103' ' ' ARG . 1.4 m -91.4 128.9 37.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 HD12 HD12 ' B' ' 106' ' ' ILE . 96.4 mt -122.7 131.38 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 41.7 t0 -97.27 125.36 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.745 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.54 163.18 25.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.016 -178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -83.06 145.15 29.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.966 0.412 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -44.25 -65.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -58.82 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' NE2' ' CG ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -61.52 -49.28 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.476 -179.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.9 t-160 -53.57 -29.94 39.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -74.77 -31.05 61.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.531 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 p -64.09 -49.4 72.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.73 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.77 -33.71 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.23 -38.63 85.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.356 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.41 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.81 -35.37 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.92 -50.59 72.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.66 -34.42 69.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.614 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.92 -37.13 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -25.34 57.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.029 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.42 2.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.717 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.19 -173.93 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.802 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.464 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t -101.29 150.32 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.843 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.7 tt -47.97 -29.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' B' ' 106' ' ' ILE . 1.4 tppm? -51.27 -25.06 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.943 0.402 . . . . 0.0 110.259 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -50.4 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.436 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' OH ' HD22 ' A' ' 19' ' ' LEU . 65.6 t80 -58.84 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.694 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.843 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.84 -33.39 75.73 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.328 0.585 . . . . 0.0 110.461 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.0 tt -55.8 -51.72 66.46 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.05 -37.86 66.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 2.5 tpt180 -50.92 -30.08 13.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.986 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.8 HD22 ' HB1' ' B' ' 131' ' ' ALA . 4.1 mt -77.61 -20.01 54.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 110.619 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 7.3 m-85 -130.63 55.69 20.4 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.275 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.7 Cg_endo -86.88 -41.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.608 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.01 161.34 20.83 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.418 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.23 27.54 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.47 12.02 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.858 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -50.69 -38.73 48.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.271 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.36 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -71.8 -51.23 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -29.8 63.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -60.42 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.37 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.432 ' HA ' HD12 ' A' ' 49' ' ' LEU . 21.3 m95 -90.3 24.22 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -112.89 -19.42 11.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.688 0.28 . . . . 0.0 111.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 -7.42 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.342 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 46' ' ' TRP . 66.8 mt -60.71 -33.69 73.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.097 0.475 . . . . 0.0 110.104 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 -25.09 10.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.472 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -117.78 74.61 0.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.49 139.57 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -177.88 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.16 0.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -109.18 30.45 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 90.06 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.643 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -102.19 49.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -57.57 -49.38 76.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -163.73 -71.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 86.26 -53.22 4.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.714 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tp 63.4 -69.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.593 0.235 . . . . 0.0 111.478 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -175.57 -51.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.98 55.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 65' ' ' VAL . 13.2 mmmm -59.92 -67.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.5 m -155.71 102.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -164.31 176.27 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 67' ' ' THR . 8.5 m -164.69 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 -174.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -144.89 -178.8 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.01 135.3 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.39 -157.21 15.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -148.07 34.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 74' ' ' LEU . 23.4 mm -123.07 159.27 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 73' ' ' ILE . 2.7 mp -61.68 151.69 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -39.03 84.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.25 99.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -152.86 -178.48 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 118.44 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 m 60.14 43.87 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.48 121.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.76 -32.83 73.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.89 -19.34 11.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.287 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.104 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.876 0.369 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -121.38 82.05 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.596 ' HD2' HG22 ' A' ' 5' ' ' THR . 6.1 ttp180 -107.76 134.92 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.742 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.692 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -120.3 139.63 52.44 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.539 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 28.1 m -100.3 120.57 40.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.692 HG12 HD11 ' B' ' 104' ' ' LEU . 16.4 mt -112.05 144.2 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.963 0.411 . . . . 0.0 111.987 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.428 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 3.3 t70 -97.13 124.8 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.585 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.1 mmm -128.69 162.53 27.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.422 -177.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -84.03 135.44 34.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.407 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.69 -52.33 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.976 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -49.49 77.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.821 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 9.5 pt20 -65.45 -43.77 89.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.623 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.588 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 2.9 t-160 -51.55 -26.06 7.91 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.495 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 72.6 mt-30 -73.32 -32.27 64.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 109.936 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 119' ' ' LEU . 7.8 t -69.27 -48.58 61.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.67 HD12 ' CE2' ' B' ' 130' ' ' TYR . 10.4 tp -81.18 -44.03 18.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.751 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.26 -47.75 84.68 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -65.35 -42.03 93.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.937 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.825 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.0 69.6 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.341 . . . . 0.0 110.774 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.87 -52.08 66.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.353 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.82 -33.22 68.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.754 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.94 -37.39 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.515 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.9 -25.44 53.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.794 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.93 32.5 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.624 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.19 -172.75 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.518 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.3 t -102.75 149.81 24.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.222 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.812 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.7 tt -49.41 -32.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.702 0.287 . . . . 0.0 110.812 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.3 OUTLIER -50.26 -24.4 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 110.336 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -53.28 3.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.385 0.612 . . . . 0.0 110.09 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' B' ' 116' ' ' LEU . 34.3 t80 -58.98 -51.09 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.769 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.7 -40.9 92.76 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.541 0.686 . . . . 0.0 110.096 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 6.5 tp -55.9 -49.76 72.54 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.126 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.43 -27.64 69.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -80.7 -23.22 39.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.745 HD12 ' HE1' ' A' ' 8' ' ' MET . 19.4 mt -77.1 -23.95 51.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.476 ' CG ' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -128.02 56.74 22.39 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.121 179.111 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 91.5 Cg_endo -88.72 97.16 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.446 2.097 . . . . 0.0 112.484 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.62 58.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -159.44 153.34 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -142.19 11.31 1.95 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.733 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.12 -53.43 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.11 -25.84 29.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.1 -2.55 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -119.32 -2.2 10.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.523 0.201 . . . . 0.0 111.541 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.72 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.793 0.33 . . . . 0.0 111.289 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' B' ' 149' ' ' LEU . 58.7 m95 -88.98 -20.64 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.356 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -24.22 66.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.235 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -87.59 -29.06 21.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' B' ' 146' ' ' TRP . 17.1 mt -60.68 -30.07 69.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -105.95 -29.3 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.847 HG23 HG23 ' B' ' 170' ' ' VAL . 20.8 m -158.47 94.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 87.93 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.671 ' HG ' HG22 ' B' ' 151' ' ' THR . 49.1 mt -94.19 -67.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 132.63 -119.34 2.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.568 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -107.24 -176.79 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.28 123.49 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.495 HG23 ' N ' ' B' ' 158' ' ' ASN . 2.5 tt -162.04 -46.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.495 ' N ' HG23 ' B' ' 157' ' ' ILE . 0.6 OUTLIER -86.25 128.33 34.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.73 166.14 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -88.89 -64.18 1.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 11.2 mt -157.82 -60.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.04 37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.25 17.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -61.23 171.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.28 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.03 -79.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.3 m 54.89 65.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.68 178.69 3.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 89.0 p -102.01 173.12 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.847 HG23 HG23 ' B' ' 151' ' ' THR . 25.9 t -130.93 92.52 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.69 69.3 1.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.57 -173.07 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 24.3 mm -85.92 143.3 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.467 ' H ' HD23 ' B' ' 174' ' ' LEU . 1.1 pt? -111.54 -178.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 34.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.21 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -157.2 175.5 13.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.29 166.04 3.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 11.8 t 61.43 152.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 155.12 42.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.68 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.66 -44.79 85.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -109.33 -17.34 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.849 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.1 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -71.76 74.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' B' ' 105' ' ' THR . 0.4 OUTLIER -94.74 132.87 39.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.466 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.037 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -98.68 138.42 35.88 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.997 0.427 . . . . 0.0 112.004 -179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.635 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.5 m -117.57 120.66 38.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.256 177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' B' ' 132' ' ' LEU . 13.3 tt -130.19 145.83 35.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.808 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.94 124.84 42.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.387 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.712 ' HE3' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.05 162.48 27.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.416 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 12' ' ' GLN . 2.1 t -83.51 133.03 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.194 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -29.96 -42.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -69.13 -49.58 55.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 111.735 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' NE2' ' CG ' ' B' ' 136' ' ' PHE . 1.1 mm100 -65.81 -49.2 69.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.718 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.519 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.1 t-160 -53.84 -40.58 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 14.3 pt20 -74.03 -34.67 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.122 0.487 . . . . 0.0 110.142 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.3 m -61.19 -49.32 77.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.771 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.57 -35.48 30.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.43 -39.31 85.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.872 0.368 . . . . 0.0 110.295 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -45.62 70.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.597 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.92 -39.21 80.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.299 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -58.79 -46.31 87.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -32.57 68.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.493 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.14 -21.13 56.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.374 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.15 32.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.48 35.91 57.35 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.839 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.1 ptpt -160.07 -165.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.581 0.229 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.512 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 t -123.13 152.71 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.629 0.252 . . . . 0.0 110.722 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.899 HD11 HD22 ' B' ' 104' ' ' LEU . 1.3 tt -52.76 -34.62 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 110.667 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -64.93 -14.27 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.223 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.73 -59.25 1.8 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.783 0.801 . . . . 0.0 110.039 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' NE ' ' A' ' 34' ' ' ARG . 14.6 t80 -58.73 -50.62 73.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.197 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.898 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.0 -37.84 86.96 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.401 0.619 . . . . 0.0 109.852 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.102 ' HB2' HD11 ' B' ' 106' ' ' ILE . 0.8 OUTLIER -55.75 -51.54 67.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.981 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.8 mm-40 -65.29 -27.9 68.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.812 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -59.88 -31.63 69.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.843 0.354 . . . . 0.0 110.575 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' B' ' 116' ' ' LEU . 24.2 mt -77.63 -21.46 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.818 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' B' ' 116' ' ' LEU . 3.5 m-85 -133.91 54.6 12.82 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.312 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 84.6 Cg_endo -90.45 59.56 1.53 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.32 70.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -160.0 104.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -6.65 47.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.638 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -55.63 -65.72 0.54 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.1 -28.15 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -26.72 64.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -110.6 -45.71 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.98 -67.49 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.544 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -59.03 -21.05 58.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -22.88 66.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.77 -5.84 27.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.35 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -60.78 -30.04 69.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.5 tppt? -114.58 18.29 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.633 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -113.56 -56.23 2.43 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.485 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.7 -171.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.39 164.84 17.74 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.62 -169.06 26.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.32 165.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -77.52 -28.7 52.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.79 101.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.27 103.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -61.35 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.83 25.21 28.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 113.11 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.21 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.95 -53.01 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.16 104.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 65' ' ' VAL . 12.5 p -155.88 48.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.84 98.02 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 m -59.94 105.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 103.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.02 -47.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 50' ' ' LYS . 21.6 t -119.17 110.19 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.72 65.28 1.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.603 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -144.5 -57.68 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.1 mm -120.53 112.0 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.29 -68.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -77.92 -166.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -150.25 23.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -79.84 -165.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pp -112.35 -36.01 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 m -164.43 96.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -131.36 5.18 5.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 51.53 80.4 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.805 0.336 . . . . 0.0 110.706 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.57 24.36 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.733 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.145 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.84 0.352 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.56 88.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 5' ' ' THR . 3.3 tpp85 -94.75 132.93 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.675 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.85 137.85 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.917 0.389 . . . . 0.0 111.331 -179.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.777 ' N ' HD12 ' B' ' 104' ' ' LEU . 3.2 m -117.16 120.67 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.446 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 1.102 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.0 tt -129.45 148.21 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.503 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.73 125.12 42.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.458 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.523 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -128.68 162.99 26.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.569 -179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 161.03 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.455 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.625 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.653 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -58.59 -49.08 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.256 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.544 ' O ' HD13 ' B' ' 116' ' ' LEU . 11.1 t-160 -62.01 -33.48 74.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.89 -27.99 60.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.758 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -64.29 -50.29 68.46 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.568 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.927 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.38 -33.88 28.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.927 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.35 -36.95 82.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 110.42 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 122' ' ' LEU . . . -70.05 -44.3 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.658 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.758 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.51 -34.37 70.88 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.45 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.76 -49.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.148 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.08 -32.4 66.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 118' ' ' ALA . 13.3 mt -65.33 -19.76 66.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.807 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' B' ' 125' ' ' LYS . 3.2 pt20 -107.73 28.67 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 111.541 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 65.47 37.51 93.83 Favored Glycine 0 CA--C 1.519 0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 114.149 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 2.1 pttt -160.49 -177.9 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.174 0.487 . . . . 0.0 111.056 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.519 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 77.3 p -109.65 153.76 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.281 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 4' ' ' LEU . 1.6 tt -52.87 -27.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.696 0.284 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.87 -17.41 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.88 -49.81 3.04 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.484 0.659 . . . . 0.0 109.66 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.416 ' CG ' ' OE1' ' B' ' 123' ' ' GLN . 14.2 t80 -58.83 -51.56 69.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.262 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.577 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -66.16 -32.49 73.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.279 0.562 . . . . 0.0 109.939 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -54.51 -50.97 66.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.11 -27.57 65.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.313 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -87.49 -20.29 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.977 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.898 HD22 ' HB1' ' A' ' 31' ' ' ALA . 10.4 mt -75.87 -23.79 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.479 ' CZ ' ' HG ' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.88 60.84 55.92 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.891 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 97.2 Cg_endo -89.23 90.91 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.658 2.239 . . . . 0.0 112.478 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.5 -32.79 2.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.87 177.66 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.58 9.69 2.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.648 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -31.1 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.78 80.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.38 -44.53 95.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -73.68 -26.83 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -53.8 -54.29 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 111.31 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.434 ' HA ' ' CD2' ' B' ' 149' ' ' LEU . 80.3 m95 -66.18 -16.1 63.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.328 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -103.31 -5.48 22.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.28 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' B' ' 151' ' ' THR . 2.1 mt-10 -113.85 -19.74 11.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.205 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.898 HD12 ' N ' ' B' ' 150' ' ' LYS . 3.3 pp -60.44 -29.65 69.15 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . 0.898 ' N ' HD12 ' B' ' 149' ' ' LEU . 3.7 ptmt -95.28 -23.45 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.072 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' B' ' 148' ' ' GLU . 16.9 m -83.48 73.39 10.19 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.14 112.25 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.56 106.34 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.46 -65.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.555 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -85.56 108.12 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -143.72 153.3 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.539 HD13 ' N ' ' B' ' 157' ' ' ILE . 0.2 OUTLIER -48.76 -34.46 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.431 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.4 168.08 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -159.85 68.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -155.3 24.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.608 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -179.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.38 -74.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -123.42 74.45 0.39 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 59.94 -176.92 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.51 139.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.05 66.52 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.6 m -165.29 -42.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -56.31 -44.23 79.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.96 -65.76 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 23.6 t -56.36 138.15 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 75.15 30.8 58.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -134.65 91.59 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -119.25 145.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.09 -32.25 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.62 159.45 35.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.76 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.39 99.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.493 HD13 ' O ' ' B' ' 180' ' ' GLY . 1.1 pp -119.36 -17.72 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.459 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.14 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . 0.493 ' O ' HD13 ' B' ' 178' ' ' LEU . . . -87.23 -134.7 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.479 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.6 -72.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.527 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -117.75 22.87 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.138 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.799 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.3 OUTLIER -75.4 85.06 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 127.33 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.331 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.72 139.04 52.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.878 ' OG1' HG23 ' B' ' 105' ' ' THR . 93.6 m -103.02 120.17 40.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.943 HD12 HD12 ' B' ' 106' ' ' ILE . 7.3 mt -111.15 148.14 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' O ' HD11 ' B' ' 132' ' ' LEU . 45.4 t0 -97.41 125.15 41.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.637 ' HE1' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.6 162.7 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.094 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 153.38 24.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -72.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.278 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -49.05 79.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.861 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -55.97 -47.35 77.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.617 0.246 . . . . 0.0 111.417 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.1 t-160 -54.64 -47.25 73.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -65.38 -26.76 68.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 110.215 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -49.32 77.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -81.6 -31.39 32.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.302 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -59.71 -48.0 83.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -61.64 -39.89 92.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.677 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.77 -34.59 71.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -61.64 -52.18 65.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.393 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.46 69.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.575 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -59.91 -37.61 79.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -26.29 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.906 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.78 30.08 2.07 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.772 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.37 -176.79 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 28' ' ' LYS . 11.6 t -96.46 148.68 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.141 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.88 ' CD1' HD11 ' A' ' 16' ' ' LEU . 2.2 tt -49.57 -34.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.993 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 11.6 mmmm -48.5 -25.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.198 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -52.18 3.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' OH ' HD22 ' A' ' 19' ' ' LEU . 83.3 t80 -58.89 -50.57 73.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.447 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -64.91 -31.61 72.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -54.99 -51.51 66.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.166 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.53 -27.74 62.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.634 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -23.68 46.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.02 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.007 HD22 ' HB1' ' B' ' 131' ' ' ALA . 3.9 mt -72.83 -19.94 61.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.234 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.737 ' CE2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.71 65.03 69.97 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.48 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -93.15 -175.53 0.52 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.082 2.521 . . . . 0.0 112.752 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.41 -52.57 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.094 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 44' ' ' GLN . . . -158.87 19.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.506 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 6.6 t70 -102.09 -64.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.18 -69.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.968 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -51.01 -26.81 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.777 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . 1.3 tt0 -90.43 -27.27 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.376 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 41' ' ' ASP . . . -64.26 -52.82 56.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.512 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.8 m95 -90.36 26.04 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.78 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -122.5 -15.8 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.88 -23.98 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.914 HD12 ' N ' ' A' ' 50' ' ' LYS . 3.4 pp -60.6 -29.87 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.382 . . . . 0.0 110.253 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.914 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.36 -16.42 11.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.928 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 m -136.67 77.65 1.66 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.882 0.372 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 ttt -93.32 128.08 39.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.02 -178.05 0.72 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.58 139.01 10.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -154.71 125.03 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -157.72 -67.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm 62.29 117.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -63.96 -58.49 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.18 -76.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.77 -58.24 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.57 100.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.91 61.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.8 -28.41 15.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 162' ' ' ALA . 24.7 mmmt 62.92 71.7 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 HD22 ' B' ' 158' ' ' ASN . 26.8 m -84.48 -178.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 99.61 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.2 32.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 146.4 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -122.05 173.6 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 71' ' ' GLY . 21.7 t -131.09 159.36 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -56.76 -46.2 90.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.717 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.604 ' O ' HD13 ' A' ' 73' ' ' ILE . 5.3 tt0 -149.24 154.12 38.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 83' ' ' ALA . 21.8 mm -125.62 131.32 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' C ' HD12 ' A' ' 74' ' ' LEU . 3.7 pp -163.49 165.84 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 49.83 77.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.345 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.67 81.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.47 -33.0 48.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -94.28 151.17 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.67 24.15 9.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.641 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.65 -33.48 70.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.888 0.375 . . . . 0.0 110.733 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.04 24.81 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.773 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB3' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.926 0.393 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.21 76.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -99.95 119.87 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.658 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -107.35 137.4 45.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.361 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.878 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.6 m -93.12 120.37 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.943 HD12 HD12 ' A' ' 6' ' ' ILE . 86.3 mt -108.35 144.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -97.84 124.14 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.738 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.3 162.81 27.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -178.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 156.07 22.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.3 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.758 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -46.79 87.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.505 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.453 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -55.86 -49.1 74.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.545 -179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.5 t-160 -56.64 -37.33 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.176 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.42 -27.98 63.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.572 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.0 OUTLIER -68.46 -49.51 59.27 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.964 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.87 -33.31 30.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.964 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.59 -43.49 80.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.3 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.434 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -62.01 -37.42 84.8 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.37 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.579 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.47 -32.69 68.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.108 0.48 . . . . 0.0 110.21 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -60.61 -52.51 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.812 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.69 -32.72 68.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.718 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -59.87 -39.42 85.18 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -25.99 52.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.676 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 114.98 36.85 1.19 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.749 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -160.19 -176.58 5.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.494 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 t -95.15 146.28 24.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.811 ' CD1' HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.39 -28.25 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.736 -179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -57.03 -17.2 9.08 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.889 178.225 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -54.75 2.68 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.711 0.767 . . . . 0.0 109.742 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.579 ' OH ' HD22 ' B' ' 119' ' ' LEU . 39.6 t80 -58.97 -50.86 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.377 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 1.007 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.01 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.361 0.601 . . . . 0.0 109.638 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.669 ' O ' HD22 ' B' ' 135' ' ' LEU . 4.4 tt -59.7 -51.49 69.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.772 -1.103 . . . . 0.0 112.312 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.37 -27.02 68.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.941 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.445 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -65.41 -39.72 92.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.806 ' HB3' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.47 -33.45 69.77 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.619 ' CD1' ' HB2' ' B' ' 135' ' ' LEU . 0.1 OUTLIER -131.81 76.37 74.35 Favored Pre-proline 0 N--CA 1.444 -0.772 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.699 178.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.97 -56.86 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.801 2.334 . . . . 0.0 112.293 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.06 159.58 53.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.556 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.45 174.04 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.43 10.05 2.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.795 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.3 -61.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.83 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.37 -20.92 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.68 -50.38 3.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.77 0.319 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.7 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.352 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -21.65 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.375 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.77 -21.26 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -105.85 -11.49 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.311 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -31.17 70.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.66 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -29.41 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 64.7 m -156.62 99.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -34.45 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.0 129.92 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 95.13 63.42 0.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.49 71.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -145.27 19.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 25.8 mm 56.61 105.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.0 111.282 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.492 HD22 HG22 ' A' ' 65' ' ' VAL . 5.9 t30 -174.64 77.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -63.83 102.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -112.7 -82.73 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 161' ' ' LEU . 1.0 OUTLIER 50.98 76.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.195 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 64' ' ' LYS . . . -86.18 -60.37 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -162.49 29.38 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.184 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 60.75 31.09 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 18.0 m -103.94 156.89 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 1.2 m 59.97 161.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -177.0 141.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -71.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.6 p -175.76 166.92 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.827 HG11 HD11 ' B' ' 174' ' ' LEU . 4.0 t -109.79 163.17 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.467 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -58.25 -108.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.602 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.45 -77.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 23.9 mm -93.73 140.19 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.827 HD11 HG11 ' B' ' 170' ' ' VAL . 3.7 mm? -110.58 -34.64 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.5 t70 49.49 69.79 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.0 158.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.47 67.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 9.8 mt -119.7 129.25 54.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 -62.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -112.82 -127.22 4.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.585 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.75 -75.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.819 0.342 . . . . 0.0 110.677 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.05 -17.55 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.119 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.22 83.02 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 1.2 tpp85 -94.57 123.98 38.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.439 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -113.29 138.29 50.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 0.0 111.022 -179.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.3 m -94.69 134.73 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.914 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' SD ' ' A' ' 8' ' ' MET . 10.9 mt -130.08 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' H ' ' HD2' ' B' ' 128' ' ' LYS . 34.4 p-10 -97.07 124.76 41.16 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 135' ' ' LEU . 1.3 mmm -129.04 162.65 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.472 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 153.19 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.872 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.66 -46.74 86.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.438 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -57.49 -49.11 77.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.053 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.712 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.3 t-160 -61.47 -30.61 70.71 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.812 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -72.48 -31.85 65.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.974 0.416 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 19' ' ' LEU . 1.2 m -65.97 -46.66 77.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.463 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.627 HD13 ' HE2' ' A' ' 30' ' ' TYR . 1.7 mm? -81.28 -39.05 25.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.712 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.92 -47.57 82.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.84 98.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.78 -35.79 73.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.98 -52.15 66.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.608 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.69 70.09 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.92 -36.71 77.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.477 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -25.97 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.852 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 26.11 3.27 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.98 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 4.5 pttp -160.25 -176.95 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -93.77 149.32 21.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.067 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.767 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.1 tt -52.92 -28.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.79 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 12.0 mmmm -49.64 -27.22 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.032 0.444 . . . . 0.0 110.287 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -48.32 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.013 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.627 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.6 t80 -59.65 -51.88 67.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.767 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -66.25 -40.09 89.94 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.457 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -54.97 -51.26 66.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.225 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.9 mm-40 -72.6 -28.88 63.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.257 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HB3' HD23 ' B' ' 135' ' ' LEU . 3.3 tpt180 -59.71 -33.09 71.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.808 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' B' ' 134' ' ' ARG . 25.3 mt -71.31 -19.21 62.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.681 ' HZ ' HD12 ' B' ' 116' ' ' LEU . 19.2 m-85 -122.95 61.75 17.56 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.055 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 23.2 Cg_exo -63.54 -66.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.253 1.969 . . . . 0.0 112.148 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.28 -92.18 0.41 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.605 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -113.05 158.06 20.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.92 12.92 1.29 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.806 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -53.89 -24.9 17.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.254 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -56.13 -23.84 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -27.47 50.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -111.33 -28.17 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -53.96 -70.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.383 0.611 . . . . 0.0 111.587 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -75.7 -6.73 51.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.038 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -92.39 -22.2 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.81 -11.36 60.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.272 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -30.07 69.73 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.973 0.416 . . . . 0.0 110.303 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -25.44 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.587 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -63.0 -53.67 50.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.9 tpt -58.71 160.05 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.93 -59.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.75 -53.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 60.97 31.29 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -128.02 -48.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.82 -24.59 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -169.27 175.92 5.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.47 95.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.57 84.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.19 143.38 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.31 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.51 -59.78 2.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 65' ' ' VAL . 3.4 tppp? 62.25 117.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.346 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.608 HG23 ' HG3' ' A' ' 64' ' ' LYS . 26.7 t 64.85 70.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 71.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -61.09 -27.43 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 40.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -145.3 -47.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' B' ' 164' ' ' LYS . 21.6 t -134.31 86.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -131.89 -105.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -109.29 146.73 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.412 ' HA ' HD22 ' B' ' 161' ' ' LEU . 29.3 mm -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -178.05 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.15 172.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -160.88 27.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 78' ' ' LEU . 1.2 pt-20 -119.36 138.26 53.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD12 ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 63.07 149.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.774 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 t -134.36 119.73 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.01 23.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.94 68.8 0.61 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 64.38 26.88 13.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.197 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.9 mtt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.14 67.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 19.6 ttm180 -94.69 119.85 33.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.588 HD22 HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.34 129.74 56.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.779 0.323 . . . . 0.0 111.305 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 1.6 m -86.56 120.41 27.84 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 6' ' ' ILE . 47.4 mt -107.65 144.69 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 2.9 p30 -97.84 124.67 42.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.778 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.476 ' HB2' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -128.89 162.71 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.024 -179.319 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 156.52 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -65.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.84 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -68.02 -34.93 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.4 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.524 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -63.42 -49.38 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.254 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' B' ' 117' ' ' LYS . 23.0 t-160 -57.49 -34.95 69.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.91 -28.56 60.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.294 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -50.34 66.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.648 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.918 HD13 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -82.76 -32.8 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.222 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.918 ' N ' HD13 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -67.02 -32.68 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 109.999 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.21 71.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.306 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -32.83 69.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.542 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.544 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.56 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.72 -34.73 69.81 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.706 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.92 -34.11 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.564 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 130' ' ' TYR . 0.5 OUTLIER -78.65 -24.05 45.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.0 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.61 29.55 2.43 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.687 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.16 -174.63 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.82 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.45 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 5.2 t -101.25 149.09 24.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.853 ' CD1' HD21 ' B' ' 116' ' ' LEU . 1.2 tt -49.47 -28.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.47 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' B' ' 126' ' ' THR . 0.4 OUTLIER -51.24 -26.28 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 178.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -100.23 -51.34 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.146 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.422 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 54.1 t80 -58.94 -51.68 69.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.344 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.841 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.96 -36.22 82.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.466 0.651 . . . . 0.0 109.993 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.496 HD12 ' HE2' ' B' ' 136' ' ' PHE . 9.8 tp -59.77 -51.46 69.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.157 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.65 -27.83 62.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.027 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.801 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.2 tpt180 -61.91 -40.19 94.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.555 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 34' ' ' ARG . 10.5 mt -73.53 -19.74 60.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.496 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -132.77 60.49 50.39 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.348 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.461 ' HG3' ' O ' ' B' ' 134' ' ' ARG . 20.6 Cg_endo -87.38 -55.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.492 2.128 . . . . 0.0 112.274 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.51 -160.34 13.21 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.608 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -91.32 133.74 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.83 -26.75 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.95 -63.72 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.54 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.04 -31.19 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -26.49 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.045 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.03 -50.38 71.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.218 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.691 ' HA ' HD12 ' B' ' 149' ' ' LEU . 89.4 m95 -66.55 -22.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -85.52 -3.11 58.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.28 -2.82 13.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.362 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' B' ' 146' ' ' TRP . 1.5 mt -60.83 -31.99 71.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.937 0.399 . . . . 0.0 110.468 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.75 -24.17 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.689 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 170' ' ' VAL . 86.7 m -56.76 -39.55 74.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 47.2 ttp -118.99 164.93 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 152.19 41.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -81.27 142.15 22.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -139.12 -45.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . 0.717 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.0 OUTLIER 63.8 16.18 9.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.275 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.717 HD13 ' O ' ' B' ' 156' ' ' ARG . 16.5 mm -143.63 16.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.359 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 174.79 111.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.799 0.333 . . . . 0.0 110.787 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.07 -26.07 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 123.32 -48.01 0.98 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -64.66 150.5 47.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . 0.409 ' N ' HD23 ' B' ' 161' ' ' LEU . . . -175.54 -60.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -104.29 -104.14 2.89 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.173 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.581 ' HD2' HG13 ' A' ' 70' ' ' VAL . 13.9 tppt? -178.6 153.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.468 HG12 ' N ' ' B' ' 166' ' ' SER . 3.6 t 66.17 164.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . 0.468 ' N ' HG12 ' B' ' 165' ' ' VAL . 2.3 p 73.75 145.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.8 m 63.89 129.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.75 19.41 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.244 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.3 m 55.35 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.066 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.634 HG21 ' HB3' ' B' ' 182' ' ' ARG . 53.1 t 59.89 156.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.406 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 176.21 128.67 1.14 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.41 172.2 13.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.0 mm -85.27 148.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' B' ' 174' ' ' LEU . 12.0 tp 70.58 -62.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.6 t70 54.26 30.97 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.42 -30.51 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.5 107.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.7 38.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.2 m -107.74 -67.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.63 -95.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 53.25 76.64 0.2 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.813 0.339 . . . . 0.0 110.51 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . 0.634 ' HB3' HG21 ' B' ' 170' ' ' VAL . 2.0 mmp_? 61.33 24.34 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.163 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.34 70.76 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' B' ' 107' ' ' ASP . 1.1 mtt180 -101.43 139.62 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 6' ' ' ILE . 14.4 tp -114.18 132.26 56.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.956 0.407 . . . . 0.0 111.207 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.5 m -99.74 120.79 40.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.715 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.818 HD11 ' CD2' ' A' ' 4' ' ' LEU . 3.2 mt -118.45 141.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 23.3 t0 -97.82 124.5 42.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.857 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.925 ' HE1' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.19 162.35 28.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 150.52 25.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -45.59 -68.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.127 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.04 -49.06 79.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.952 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' NE2' ' CE2' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -59.11 -49.08 79.23 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.641 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 3.5 t-160 -50.24 -35.87 28.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 111.059 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -70.52 -26.7 63.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.699 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -50.1 74.8 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 109.852 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD22 ' CE1' ' B' ' 136' ' ' PHE . 1.1 pt? -82.39 -38.56 23.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.582 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -57.05 -46.19 82.62 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.842 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.35 97.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.938 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -35.46 72.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.047 0.451 . . . . 0.0 110.152 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.39 -46.34 90.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.2 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -72.04 -41.18 67.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.622 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.84 -20.68 62.15 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.888 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -95.45 23.2 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.2 36.96 92.17 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.936 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.31 -174.34 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 110.967 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.5 t -108.3 151.8 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.715 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -49.26 -31.97 5.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.862 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 26' ' ' THR . 0.7 OUTLIER -50.92 -25.87 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 0.0 109.951 178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.3 -52.99 3.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.379 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 34' ' ' ARG . 81.5 t80 -58.86 -50.33 74.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.591 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -62.77 -31.66 72.66 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.29 0.566 . . . . 0.0 110.306 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -74.93 -46.75 33.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.752 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.5 mm-40 -72.4 -26.26 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -81.26 -32.86 33.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.854 ' O ' HD21 ' B' ' 116' ' ' LEU . 40.9 mt -77.2 -17.34 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' N ' ' HD2' ' A' ' 37' ' ' PRO . 3.3 m-30 -87.39 -39.17 0.5 Allowed Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 36' ' ' PHE . 38.3 Cg_endo -68.41 -88.63 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.392 2.062 . . . . 0.0 113.209 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' B' ' 134' ' ' ARG . . . -162.1 170.34 37.72 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.024 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' B' ' 134' ' ' ARG . 17.6 p30 -98.07 -176.73 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' B' ' 142' ' ' ALA . . . -153.09 12.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.873 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -113.73 -31.92 6.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 111.184 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.74 69.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.354 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.79 -28.99 70.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -88.56 -22.43 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -69.41 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 0.0 111.381 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -64.81 -16.89 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.34 -16.9 33.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 51' ' ' THR . 12.7 mt-10 -115.74 -16.3 11.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.456 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.74 -29.96 69.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -119.15 13.61 12.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' A' ' 48' ' ' GLU . 7.1 m -128.69 -54.59 1.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.32 153.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.44 100.55 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.2 126.76 9.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.02 133.72 51.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.47 110.96 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.99 -33.65 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -176.8 86.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.82 70.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . 141.38 -34.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.35 -72.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.594 0.235 . . . . 0.0 111.505 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -178.02 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.034 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.04 -49.24 3.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -176.45 155.44 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.84 151.47 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 111.72 5.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -60.09 -21.22 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -56.26 122.01 10.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.19 -36.0 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.69 142.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.48 56.97 5.27 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.749 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -88.3 54.02 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.855 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.749 HD13 ' O ' ' A' ' 72' ' ' GLU . 24.0 mm -135.74 154.12 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 73' ' ' ILE . 3.1 mm? -109.69 -43.46 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -61.03 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.06 65.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.995 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.53 40.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.43 154.09 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -113.55 -35.12 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.77 -22.29 53.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.22 87.4 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.812 0.339 . . . . 0.0 110.484 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 62.13 21.42 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.163 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 44.8 m -121.1 101.52 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 5.1 mtt180 -94.91 139.06 31.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.864 HD21 HD11 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -127.14 139.2 53.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 111.003 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -105.29 120.89 42.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.357 -0.383 . . . . 0.0 109.993 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.864 HD11 HD21 ' B' ' 104' ' ' LEU . 1.0 OUTLIER -109.19 150.95 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.047 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 3' ' ' ARG . 26.3 p-10 -100.48 124.7 46.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.977 0.418 . . . . 0.0 110.226 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.467 ' CE ' HG21 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -129.02 162.91 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.512 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 148.54 27.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.839 0.352 . . . . 0.0 110.196 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -43.21 -55.77 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -69.17 -49.2 58.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.298 . . . . 0.0 111.538 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.459 ' NE2' ' CG ' ' A' ' 36' ' ' PHE . 3.2 mm100 -56.38 -43.11 78.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.221 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.716 ' O ' ' HD2' ' B' ' 117' ' ' LYS . 4.5 t-160 -49.78 -63.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.543 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 22.4 mt-30 -58.82 -26.31 64.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.435 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.698 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 t -65.62 -36.44 83.72 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.299 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.854 HD21 ' O ' ' A' ' 35' ' ' LEU . 5.9 mt -81.58 -40.01 23.69 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.189 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.716 ' HD2' ' O ' ' B' ' 113' ' ' HIS . 0.1 OUTLIER -67.28 -41.39 85.54 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.44 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -60.81 -46.1 91.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.939 -1.482 . . . . 0.0 109.724 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.698 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -65.78 -33.02 74.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.609 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -64.32 -47.68 78.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.971 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.6 -36.32 70.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.44 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.5 mp -63.46 -38.87 92.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.521 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -21.01 65.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 111.16 24.36 5.46 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.099 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.06 -173.23 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -96.05 152.26 18.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.906 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -47.76 -41.1 8.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.78 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -48.14 -26.78 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.557 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -98.19 -49.71 4.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.563 0.697 . . . . 0.0 110.33 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.58 ' OH ' HD22 ' B' ' 119' ' ' LEU . 38.6 t80 -58.64 -50.45 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.935 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.906 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -63.5 -34.27 77.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.429 0.633 . . . . 0.0 109.531 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' B' ' 135' ' ' LEU . 5.8 tp -58.68 -50.96 71.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.65 -32.41 74.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' A' ' 35' ' ' LEU . 7.8 mtt180 -90.11 -13.75 35.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.33 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.925 HD13 ' HE1' ' A' ' 8' ' ' MET . 11.7 mt -70.64 -30.96 67.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.657 ' CE1' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -131.87 66.94 78.93 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.974 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.426 ' CG ' ' HG2' ' A' ' 34' ' ' ARG . 83.2 Cg_endo -92.02 -166.44 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.912 2.408 . . . . 0.0 112.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 131.11 87.2 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.789 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 115.0 2.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.73 -13.92 62.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -33.78 71.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 40' ' ' ALA . . . -57.68 -41.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.236 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -32.04 73.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -67.51 -27.21 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.08 -51.11 69.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.727 ' CE3' HD13 ' B' ' 149' ' ' LEU . 80.7 m95 -69.37 -19.88 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.233 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.44 -20.72 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.197 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.13 -6.26 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.337 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.727 HD13 ' CE3' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -33.23 72.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.893 0.378 . . . . 0.0 110.384 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 14.87 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.586 ' O ' HG22 ' B' ' 151' ' ' THR . 29.9 m -103.2 27.87 6.84 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.88 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -168.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 56.9 mt -67.0 156.57 35.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -172.36 -120.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -164.42 -67.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.88 95.28 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.502 ' O ' HG23 ' B' ' 157' ' ' ILE . 1.3 tp -62.18 120.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -176.94 122.57 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.0 130.16 45.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -74.45 -27.54 65.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.476 ' C ' HD23 ' B' ' 161' ' ' LEU . 8.5 tt -160.98 -65.25 0.06 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.53 -60.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -107.64 53.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -61.31 158.4 14.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.52 149.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.59 -76.24 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.217 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 69.5 m 64.05 99.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.16 -43.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 13.5 m 63.29 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 170' ' ' VAL . 21.3 t -144.62 55.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 69.02 143.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.619 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -104.44 -16.52 15.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 111.178 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.12 148.46 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.452 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 4.8 mt -84.09 174.32 10.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -163.93 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 63.12 17.81 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.33 101.46 6.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 15.4 mt 61.13 -175.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.825 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -57.38 -62.37 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 74.67 125.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.82 -49.84 75.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -19.46 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.087 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.89 0.376 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -101.44 95.32 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 17.5 ttp-105 -106.1 121.25 43.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.049 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.68 135.61 47.91 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 2.8 m -99.1 120.35 39.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.049 HD11 HD21 ' A' ' 4' ' ' LEU . 10.8 mt -111.3 139.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.88 124.3 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.829 ' CE ' HD13 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.25 163.47 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.304 -179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -83.33 152.24 25.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.96 179.207 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.44 -41.68 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -49.86 51.9 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' NE2' ' CZ ' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.82 -44.31 85.98 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.7 t-160 -52.54 -25.22 9.8 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.661 0.267 . . . . 0.0 111.076 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -78.94 -33.52 45.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -69.0 -47.19 66.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.26 -36.47 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.022 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -67.55 -40.57 84.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.13 179.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -63.17 -34.38 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -52.19 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.557 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.82 -36.44 70.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.575 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.6 -38.13 83.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.73 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -25.04 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.87 28.33 3.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 21.3 pttm -160.08 -174.0 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -98.3 146.28 25.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.217 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -47.86 -29.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.154 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.1 OUTLIER -51.32 -25.13 5.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.482 179.419 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -48.53 4.35 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.477 0.656 . . . . 0.0 109.599 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 88.4 t80 -58.94 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.622 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.813 ' HB1' ' CD2' ' B' ' 135' ' ' LEU . . . -63.65 -45.8 88.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.53 0.681 . . . . 0.0 109.546 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.5 tt -54.64 -47.01 74.03 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.187 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 11.6 mm-40 -70.63 -26.86 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.727 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -12.38 53.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.733 HD21 HD21 ' B' ' 135' ' ' LEU . 10.1 mt -77.02 -20.79 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 111.398 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 6.1 m-85 -89.75 -52.75 0.33 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 73.7 Cg_endo -76.89 -178.99 4.97 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.605 2.203 . . . . 0.0 112.604 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.83 70.73 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.03 142.75 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.11 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -17.82 62.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.367 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.48 -27.19 6.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.87 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.248 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.96 -29.49 60.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -70.47 -27.79 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.01 78.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.582 ' HA ' HD13 ' A' ' 49' ' ' LEU . 96.2 m95 -78.8 -10.06 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.351 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -1.3 39.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.488 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.49 -15.86 11.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.311 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -60.82 -30.11 69.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.938 0.399 . . . . 0.0 110.344 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.69 11.34 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.896 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 HG22 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -154.08 72.9 0.91 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.43 -42.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -65.51 84.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.98 -127.31 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -116.42 100.31 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.722 0.296 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -106.55 -29.38 9.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 7.8 tp -57.93 123.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.63 -164.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.767 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -54.1 -31.23 51.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.57 39.15 90.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.55 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.64 -64.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.75 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.6 98.2 1.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -64.03 137.07 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.22 151.56 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t 70.11 -63.99 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.53 131.12 21.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -178.28 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -158.54 -75.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 71' ' ' GLY . 18.3 t -140.94 160.03 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.479 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -123.29 120.88 4.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.88 -34.46 16.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.6 mm -108.4 148.34 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -161.9 -60.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -162.88 -61.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.07 -75.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -85.81 112.06 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -108.35 149.06 29.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.85 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.45 -132.75 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.559 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 62.67 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 110.669 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.87 -16.99 27.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.945 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.09 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.82 0.343 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 8' ' ' MET . 44.2 p -108.31 91.87 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.066 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.42 129.84 49.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.45 139.13 53.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -93.92 138.93 31.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.272 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 6' ' ' ILE . 96.6 mt -130.16 127.87 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.696 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 50.8 t0 -97.28 124.48 41.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.468 . . . . 0.0 110.013 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.18 163.62 25.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' B' ' 112' ' ' GLN . 0.0 OUTLIER -82.58 127.67 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.89 179.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -29.67 -58.28 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 0.9 OUTLIER -65.31 -40.69 94.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.568 ' N ' ' HG3' ' B' ' 112' ' ' GLN . 15.7 t-160 -62.78 -16.32 57.49 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.589 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -83.42 -32.93 25.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -50.41 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.735 HD22 ' C ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -82.29 -36.46 27.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.735 ' N ' HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -65.07 -36.87 85.72 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.029 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.96 98.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.49 HD22 ' OH ' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -58.55 -32.89 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.283 179.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.53 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -58.15 -52.36 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.77 -33.4 68.59 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.726 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.84 -37.66 79.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -27.36 60.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.837 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.55 30.04 1.94 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.843 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 16.8 pttt -160.29 -176.32 5.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.431 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 65.6 p -94.01 149.91 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.696 ' CG1' ' HB2' ' B' ' 131' ' ' ALA . 0.1 OUTLIER -55.05 -29.22 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.793 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 5' ' ' THR . 7.5 mmmm -49.38 -28.06 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.489 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -49.64 4.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.466 0.651 . . . . 0.0 110.064 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' OH ' HD22 ' B' ' 119' ' ' LEU . 91.3 t80 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.244 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 35' ' ' LEU . . . -63.64 -31.68 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.307 0.575 . . . . 0.0 110.162 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.843 ' HA ' HD12 ' B' ' 135' ' ' LEU . 1.7 tm? -54.63 -50.31 68.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.336 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.84 -27.62 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.693 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -13.04 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 132' ' ' LEU . 5.7 mt -77.21 -21.76 53.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 0.0 110.267 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.556 ' CZ ' HD13 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.94 62.39 65.25 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -85.18 -46.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.751 2.301 . . . . 0.0 112.535 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.81 -153.26 11.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.38 -175.46 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.24 6.92 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.622 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -30.83 66.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.38 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.6 -29.76 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -98.67 -43.34 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.9 87.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.234 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -23.74 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.289 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -62.7 -21.19 65.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' B' ' 152' ' ' MET . 2.2 mt-10 -93.54 -29.36 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.92 -33.26 72.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' B' ' 151' ' ' THR . 0.0 OUTLIER -94.59 48.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 150' ' ' LYS . 7.4 m 70.9 125.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.988 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' B' ' 148' ' ' GLU . 4.3 tpt -124.66 109.02 12.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.894 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.21 131.06 55.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 179.35 64.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.83 153.06 27.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.753 0.311 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -150.04 120.98 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.492 HG22 ' N ' ' B' ' 158' ' ' ASN . 4.7 mt 63.01 158.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.492 ' N ' HG22 ' B' ' 157' ' ' ILE . 94.2 m-20 -57.08 154.33 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -59.43 -48.57 81.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 59.14 31.17 68.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.864 HD13 HG21 ' B' ' 165' ' ' VAL . 0.2 OUTLIER -165.91 -52.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.41 -57.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.2 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.34 -42.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER -177.59 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.631 0.253 . . . . 0.0 111.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.864 HG21 HD13 ' B' ' 161' ' ' LEU . 35.0 m 44.82 46.36 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.976 0.417 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 11.5 m -108.71 -177.55 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 12.0 t -56.92 164.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -55.49 126.33 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 82.6 p -154.39 161.16 41.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 53.4 t 59.32 155.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -82.54 132.12 10.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.49 -177.8 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 20.6 mm -100.76 150.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.62 -164.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.38 85.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.74 -30.3 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -156.97 147.12 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 10.7 mt 61.81 115.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 22.5 p -71.35 -31.03 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -108.2 -118.18 4.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.48 -78.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -94.98 -17.94 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.014 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.084 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.728 0.299 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.43 64.51 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.059 0.457 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 25.8 ttm180 -98.99 120.0 38.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.054 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.925 HD22 ' NZ ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -110.66 139.37 45.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 111.434 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 54.9 m -93.55 120.93 34.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 HD11 ' A' ' 4' ' ' LEU . 46.8 mt -108.75 146.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.907 0.384 . . . . 0.0 112.025 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -105.45 124.54 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.657 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.558 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.9 162.67 27.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.65 151.94 25.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.884 0.373 . . . . 0.0 110.798 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.22 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.235 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.89 -49.21 78.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' NE2' ' CD1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -59.0 -49.14 79.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -179.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 6.0 t-160 -56.64 -31.53 64.44 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.83 -29.82 66.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.958 0.408 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.5 -48.97 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' CE2' ' A' ' 30' ' ' TYR . 11.0 tp -81.58 -37.51 27.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.506 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.82 -47.35 83.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.875 179.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.85 92.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.806 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.84 -38.4 78.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.602 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.94 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.55 -30.89 66.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.008 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.56 -33.81 73.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.634 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HG3' ' CG ' ' A' ' 25' ' ' LYS . 3.7 pt20 -95.0 22.01 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.737 0.303 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.16 40.7 61.21 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.244 -0.503 . . . . 0.0 114.334 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.55 174.8 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.985 179.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -99.94 146.44 26.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.196 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.64 HG13 ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -45.75 -38.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.5 mmmp? -49.58 -21.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.382 . . . . 0.0 110.8 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -49.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 110.05 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.826 ' CE2' HD12 ' A' ' 16' ' ' LEU . 26.2 t80 -65.16 -51.67 59.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.64 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -66.09 -40.1 90.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 109.735 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.4 tp -56.09 -49.6 73.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.202 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.4 pt-20 -69.04 -27.18 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.83 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.86 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.751 ' O ' HD11 ' B' ' 116' ' ' LEU . 42.3 mt -79.71 -25.79 41.06 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 1.6 m-30 -97.12 5.14 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 66.0 Cg_endo -89.0 175.93 3.37 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.027 1.818 . . . . 0.0 112.563 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.22 -62.51 1.28 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.243 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -154.81 101.9 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.769 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' GLN . . . -82.99 3.58 29.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.61 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -120.3 -24.61 5.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.633 0.254 . . . . 0.0 111.379 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.56 -52.54 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.572 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.8 -51.39 2.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' CB ' ' HA ' ' A' ' 40' ' ' ALA . 2.2 tp60 -52.19 -33.31 40.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ASP . . . -62.35 -59.55 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -67.25 -17.81 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.411 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -90.52 -18.66 24.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.333 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.8 -15.39 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -32.31 71.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.124 0.488 . . . . 0.0 110.096 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -112.59 -25.16 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.59 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.7 76.99 1.24 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.86 142.34 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.99 -170.56 2.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.43 52.15 7.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -136.59 145.69 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -138.14 129.92 28.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.37 101.25 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.48 178.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.1 85.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.26 93.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 132.62 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.32 -50.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.57 25.45 7.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' HG22 ' A' ' 65' ' ' VAL . 14.2 mmmt -84.05 -39.07 20.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 64' ' ' LYS . 35.9 m 43.05 44.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.621 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 m -149.2 121.52 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.6 p -63.33 -18.43 63.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.268 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -50.44 157.87 0.67 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.764 0.316 . . . . 0.0 111.089 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -154.77 -64.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -51.27 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.276 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -168.54 -151.97 7.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.5 -178.94 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 74' ' ' LEU . 12.4 mm -109.97 162.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -110.82 167.44 10.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.943 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -70.63 -11.3 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -161.46 138.53 8.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.61 76.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.2 mt -98.61 -53.28 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 177.0 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.26 -107.1 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 62.53 -79.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -94.25 -17.9 22.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.963 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.072 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -94.5 59.97 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.059 0.457 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -101.89 122.55 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.334 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.04 139.05 47.88 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 111.395 -179.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 23.5 m -98.65 120.28 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.61 HG22 ' SD ' ' B' ' 108' ' ' MET . 9.6 mt -110.66 142.19 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 112.126 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 9.4 t70 -97.49 124.4 41.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.096 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.61 ' SD ' HG22 ' B' ' 106' ' ' ILE . 1.0 OUTLIER -129.26 158.2 39.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.673 -178.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.535 HG23 ' HB2' ' B' ' 112' ' ' GLN . 1.6 t -85.33 146.52 26.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -38.07 -58.31 0.97 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -58.84 -46.83 86.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.756 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.535 ' HB2' HG23 ' B' ' 109' ' ' THR . 12.5 mm100 -61.45 -49.08 78.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.474 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.684 ' CD2' ' HE3' ' B' ' 117' ' ' LYS . 10.1 t-80 -62.39 -16.98 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 111.149 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 36.4 mt-30 -83.99 -45.88 12.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -65.38 -49.09 70.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.643 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.751 HD11 ' O ' ' A' ' 35' ' ' LEU . 1.7 mm? -66.72 -44.52 81.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.389 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.969 ' N ' ' HD3' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -67.08 -30.67 70.78 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.999 0.905 . . . . 0.0 108.864 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 114' ' ' GLN . . . -64.8 -46.19 83.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.766 -1.561 . . . . 0.0 109.637 178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -37.84 72.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.874 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.64 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.74 -45.63 85.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.068 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.01 -32.28 67.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.84 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -26.45 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.567 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -89.68 41.92 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.452 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 45.52 38.98 7.45 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.079 -0.582 . . . . 0.0 113.103 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 ptpm? -160.16 -167.4 1.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.718 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.454 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 4.5 p -121.76 154.25 37.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.936 ' CD1' ' HB2' ' B' ' 131' ' ' ALA . 0.7 OUTLIER -50.85 -37.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.37 -179.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' A' ' 5' ' ' THR . 1.6 tppt? -52.31 -22.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.009 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -106.1 -49.07 3.45 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.237 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.649 ' HE2' HD13 ' B' ' 116' ' ' LEU . 47.2 t80 -58.92 -51.29 70.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.835 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.936 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.84 -39.38 90.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.682 0.753 . . . . 0.0 109.634 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 132' ' ' LEU . 1.5 tt -56.04 -51.27 68.41 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.939 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.32 -29.12 63.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.858 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.715 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.36 -32.85 70.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.991 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.701 ' HB3' HD22 ' A' ' 16' ' ' LEU . 4.9 mt -76.33 -19.7 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 6.7 m-85 -132.45 59.35 43.01 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.871 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 24.3 Cg_exo -63.42 -27.32 70.83 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.32 2.013 . . . . 0.0 112.131 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.38 87.81 0.5 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.99 161.79 26.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.17 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -45.69 59.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' B' ' 146' ' ' TRP . . . -60.99 -38.5 86.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.26 -14.02 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.45 -28.62 10.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 111.173 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.87 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.69 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.541 ' O ' HD22 ' B' ' 149' ' ' LEU . 0.5 OUTLIER -68.51 -7.88 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.622 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . 0.41 ' N ' ' HD1' ' B' ' 146' ' ' TRP . 4.1 tm0? -55.78 -22.9 26.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.135 0.493 . . . . 0.0 110.149 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -9.24 41.07 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.541 HD22 ' O ' ' B' ' 146' ' ' TRP . 0.2 OUTLIER -60.78 -29.73 69.6 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . 0.466 ' N ' HD23 ' B' ' 149' ' ' LEU . 0.0 OUTLIER -102.59 -23.88 13.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.418 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 4.1 m -67.07 -50.9 60.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.898 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 46.06 -169.98 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.27 -65.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 156.88 -139.17 6.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 62.73 122.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -171.33 169.32 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.676 HD13 ' N ' ' B' ' 157' ' ' ILE . 0.2 OUTLIER -133.21 -38.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.418 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.407 ' N ' HG12 ' B' ' 157' ' ' ILE . 4.5 m-20 59.64 -179.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.815 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -159.97 53.49 0.35 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -121.78 61.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.586 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.32 100.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.83 63.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 111.6 28.08 3.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.898 ' HG3' HG23 ' B' ' 165' ' ' VAL . 7.8 tppt? 63.94 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.664 0.269 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.898 HG23 ' HG3' ' B' ' 164' ' ' LYS . 24.8 t -129.74 136.64 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.988 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 60.8 m -166.22 -44.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.4 t -58.98 129.02 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 101.77 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.91 -58.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.492 HG12 ' N ' ' B' ' 171' ' ' GLY . 20.2 t -143.36 159.51 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.492 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -96.6 28.73 12.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.533 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 58.87 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.671 HG21 ' HB2' ' B' ' 176' ' ' GLU . 21.6 mm -118.49 153.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.7 tp -112.24 -29.75 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -142.99 88.97 2.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.671 ' HB2' HG21 ' B' ' 173' ' ' ILE . 0.9 OUTLIER 179.57 -73.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.432 ' C ' HD23 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -95.68 -171.9 2.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.432 HD23 ' C ' ' B' ' 177' ' ' GLU . 0.3 OUTLIER -174.64 102.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -149.32 30.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 105.62 -100.2 1.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.62 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.58 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.598 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -16.73 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.4 OUTLIER -94.68 48.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 110.828 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 106' ' ' ILE . 0.7 OUTLIER -95.93 119.94 35.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.069 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 127' ' ' ILE . 1.6 tp -102.53 138.92 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 111.752 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.3 m -97.36 134.12 41.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.498 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' SD ' ' A' ' 8' ' ' MET . 3.2 mt -130.2 136.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -97.56 124.35 41.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -129.12 162.69 27.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.047 -178.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 12' ' ' GLN . 8.4 t -86.78 142.73 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' B' ' 102' ' ' SER . 4.8 p-10 -32.57 -54.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.82 -44.15 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 9' ' ' THR . 2.2 mt-30 -65.18 -49.5 69.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.785 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 8.5 t-80 -58.58 -17.59 22.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.073 0.463 . . . . 0.0 111.219 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.3 mt-30 -84.95 -47.4 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.451 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.68 -49.62 76.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.119 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.824 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -68.82 -44.9 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.075 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.014 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.44 -31.27 70.46 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.748 0.785 . . . . 0.0 109.993 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.31 -48.23 57.53 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.981 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -73.02 -32.25 64.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.534 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.68 -35.5 68.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.229 0.538 . . . . 0.0 109.877 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.97 -30.84 65.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.62 -37.59 79.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -67.51 -13.9 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.303 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.09 33.38 6.04 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.262 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.4 ptpt -159.99 -164.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 110.535 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -106.32 158.03 17.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.854 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -48.07 -45.48 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.789 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HA ' HG13 ' B' ' 106' ' ' ILE . 6.7 mtpt -47.75 -27.98 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -86.03 -54.14 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.62 0.724 . . . . 0.0 109.726 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 53.5 t80 -65.34 -50.6 65.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.647 -1.16 . . . . 0.0 112.322 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.854 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -58.31 -38.58 77.37 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.626 0.727 . . . . 0.0 109.655 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' SD ' ' B' ' 108' ' ' MET . 22.5 tp -54.82 -47.69 73.76 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.12 -27.86 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.412 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HB3' HD23 ' B' ' 135' ' ' LEU . 1.8 tpm_? -67.82 -29.67 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.824 HD22 HD22 ' B' ' 116' ' ' LEU . 0.2 OUTLIER -69.98 -19.7 63.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.842 ' CZ ' HD23 ' B' ' 116' ' ' LEU . 17.9 m-85 -125.24 61.11 32.97 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.397 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' C ' ' A' ' 35' ' ' LEU . 91.7 Cg_endo -92.52 -166.34 0.16 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.842 2.362 . . . . 0.0 112.372 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.25 109.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.406 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.01 148.07 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 7.96 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -54.48 -33.08 59.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.721 0.296 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.13 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.95 -42.16 66.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -80.79 -1.51 43.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.513 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.52 77.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.409 ' CE3' HD12 ' A' ' 49' ' ' LEU . 90.4 m95 -76.51 -20.58 56.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -20.6 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -87.78 -20.67 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 42.9 mt -60.83 -33.73 73.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.08 -28.72 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.72 100.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -88.95 63.68 6.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.7 113.56 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.73 75.09 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.562 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -104.91 91.83 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 171.29 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -111.9 122.35 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -175.97 120.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -63.09 96.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.28 34.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.86 155.42 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.0 75.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.07 -72.13 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.148 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? 58.9 159.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 111.17 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 m -109.52 153.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.049 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 67' ' ' THR . 0.1 OUTLIER -121.28 -172.78 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -168.21 142.21 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -108.72 37.51 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -92.85 168.21 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.43 93.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.46 -119.91 6.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.8 -171.78 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -133.39 179.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -177.46 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -145.77 -167.18 2.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 63.44 135.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.41 114.8 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.79 80.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -112.47 -22.89 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.63 -20.77 0.7 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.731 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 43.8 83.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.859 0.361 . . . . 0.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.08 23.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.559 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.139 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.283 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 10' ' ' ASP . 6.0 p -82.82 4.24 26.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.65 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -94.44 125.0 38.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.908 HD22 ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -112.25 139.21 47.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.109 0.481 . . . . 0.0 112.03 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 7.1 m -104.66 120.27 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.668 HG13 ' HA ' ' A' ' 28' ' ' LYS . 12.0 tt -109.17 139.83 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 26.2 t0 -97.24 124.46 41.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.447 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -128.93 162.65 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.512 -179.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.421 ' CG2' ' CG ' ' B' ' 112' ' ' GLN . 1.9 t -83.71 153.04 24.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.425 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -41.25 -62.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -58.77 -40.21 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.421 ' CG ' ' CG2' ' B' ' 109' ' ' THR . 26.1 mm100 -65.03 -49.62 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.737 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.1 t-160 -56.85 -35.71 69.19 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.687 0.279 . . . . 0.0 111.153 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.78 -32.83 65.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.136 0.493 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.827 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.8 t -67.22 -46.78 72.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.447 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.842 HD23 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pp -80.24 -44.06 20.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.392 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.783 ' HG2' HG21 ' B' ' 127' ' ' ILE . 5.6 tmtt? -58.21 -51.61 69.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.045 0.45 . . . . 0.0 110.227 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.263 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.827 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.73 -32.09 72.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.592 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.05 -51.78 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.94 66.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.644 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -47.8 76.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -30.48 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 118.39 31.47 1.52 Allowed Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.684 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -160.02 -177.39 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.691 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' B' ' 129' ' ' GLN . 12.7 t -93.41 143.35 26.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.03 -41.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -60.68 -15.4 28.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.911 0.386 . . . . 0.0 110.158 178.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' B' ' 126' ' ' THR . 6.3 tp60 -103.56 -54.78 2.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.417 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.19 -44.52 88.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.648 -179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.754 ' CB ' HD21 ' A' ' 35' ' ' LEU . . . -65.44 -37.89 88.24 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.38 0.609 . . . . 0.0 109.985 178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.99 -51.41 67.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.129 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.88 -43.17 62.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.253 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.03 46.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.959 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.824 ' O ' HD21 ' A' ' 16' ' ' LEU . 35.4 mt -66.93 -20.47 65.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.755 ' CD2' HD23 ' A' ' 16' ' ' LEU . 1.6 m-85 -127.53 69.05 74.93 Favored Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.47 -63.99 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.385 2.057 . . . . 0.0 111.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 150.21 -28.16 1.11 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.493 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.86 156.41 38.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.261 0.553 . . . . 0.0 111.597 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.54 22.17 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.78 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -66.8 -68.86 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' B' ' 146' ' ' TRP . . . -52.14 -25.26 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.691 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.22 -34.33 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.604 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -107.69 -66.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 111.589 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -44.98 -55.33 5.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.905 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.405 ' HB2' ' HA ' ' B' ' 142' ' ' ALA . 0.3 OUTLIER -66.39 -18.54 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.497 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -25.37 57.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.42 -11.33 9.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.408 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.73 -29.97 69.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -34.49 11.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.513 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.9 m -161.85 118.52 2.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.322 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 5.8 ttm -112.37 129.4 56.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.778 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -121.75 135.41 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -176.65 -124.89 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -81.76 142.73 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.72 -36.23 3.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 40.9 pt -92.78 50.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.07 138.3 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.81 -67.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.04 3.61 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.45 ' H ' HD23 ' B' ' 161' ' ' LEU . 0.9 OUTLIER -58.07 -21.91 47.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.663 0.268 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -164.72 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -62.74 -55.06 29.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.389 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? 60.04 159.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.81 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 22.4 t -109.13 58.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 34.2 m 60.6 88.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.6 92.29 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.88 -174.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 170' ' ' VAL . 15.7 t -106.92 39.31 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.56 -112.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -108.51 105.3 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.4 mm -76.5 146.56 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.0 mt -124.44 159.33 30.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.7 142.09 56.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -177.25 -175.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.59 74.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.812 ' O ' HD12 ' B' ' 178' ' ' LEU . 1.5 pp -134.58 145.07 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 44.0 t -133.02 25.89 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -126.02 -33.97 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.732 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.08 81.71 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.11 22.01 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.443 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.198 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.834 0.35 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.5 81.67 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER -94.8 129.97 41.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -118.18 139.26 51.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' HD2' ' B' ' 103' ' ' ARG . 36.1 m -100.6 120.22 39.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.07 HD12 HD12 ' B' ' 106' ' ' ILE . 4.5 mt -113.12 137.38 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.104 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 4.0 p30 -97.2 124.3 41.23 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.255 0.55 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.489 ' HE2' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -129.54 162.59 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.581 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.672 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -83.5 144.9 29.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.197 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.54 -59.68 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.79 -49.44 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.672 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -65.26 -46.96 78.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 111.664 -179.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.692 ' O ' HD23 ' A' ' 16' ' ' LEU . 6.3 t-160 -49.57 -31.69 11.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 44.4 mt-30 -73.05 -31.3 64.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 t -60.91 -49.9 75.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.815 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -81.59 -36.43 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.031 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.735 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.391 0.615 . . . . 0.0 109.469 179.293 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -66.03 -47.29 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.462 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.903 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -69.53 -31.71 70.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -178.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.13 -33.68 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.64 -30.35 65.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.065 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -47.93 83.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -23.99 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.26 33.71 2.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.967 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.3 ptpt -160.14 -151.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 t -122.86 158.43 30.33 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.773 HG13 ' HB2' ' A' ' 31' ' ' ALA . 5.4 tt -48.89 -30.35 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.692 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -53.12 -20.26 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 110.378 178.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -56.42 2.24 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.512 0.673 . . . . 0.0 110.283 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 50.7 t80 -58.78 -50.97 71.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.767 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.46 -33.44 75.95 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.281 0.562 . . . . 0.0 110.275 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -57.71 -51.75 68.25 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.342 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.9 mm-40 -72.84 -29.6 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.469 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -91.11 -2.96 57.49 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.973 ' HG ' HD21 ' B' ' 135' ' ' LEU . 1.4 mt -77.25 -27.4 53.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.717 0.294 . . . . 0.0 111.015 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -90.06 -53.13 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.405 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 50.8 Cg_endo -92.07 175.35 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 123.397 2.731 . . . . 0.0 112.634 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.373 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -105.89 161.87 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.87 14.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.761 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.99 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.049 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.07 -32.31 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.31 -22.75 54.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.56 -55.7 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.56 -60.36 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -18.13 60.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.385 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -76.68 -21.92 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -117.47 -8.97 10.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.478 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.04 0.448 . . . . 0.0 110.247 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -101.32 -23.97 14.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.449 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 m -71.59 -66.66 0.6 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 ttp -88.9 140.0 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.57 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.68 -94.87 1.93 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.426 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -63.93 118.25 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.46 159.46 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 57' ' ' ILE . 3.4 tt -132.49 121.2 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -177.7 152.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.92 37.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 43.62 64.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 62' ' ' ALA . 3.4 pp -60.16 -30.59 69.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.423 ' HB3' HD12 ' A' ' 61' ' ' LEU . . . -176.0 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.13 58.78 0.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 60.67 167.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.4 129.31 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -79.47 131.12 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -176.64 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 67.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.36 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.6 113.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.04 48.91 0.94 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -153.53 159.74 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.631 ' C ' HD13 ' A' ' 74' ' ' LEU . 22.5 mm -101.58 116.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -156.48 175.18 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.34 28.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.91 115.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -156.64 149.95 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.94 -169.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.27 -166.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.33 -14.06 59.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.748 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.82 99.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 64.51 25.62 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.221 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.83 78.37 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 4.2 ttp180 -96.83 121.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -106.73 139.0 41.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.209 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -98.08 132.87 43.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 1.07 HD12 HD12 ' A' ' 6' ' ' ILE . 41.5 mt -130.16 137.06 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 10.4 t70 -97.91 124.44 42.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.797 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.813 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -129.25 162.41 27.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' HB2' ' B' ' 112' ' ' GLN . 3.6 t -83.78 138.32 33.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 0.0 110.191 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -32.31 -53.71 0.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.02 -49.11 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.471 ' NE2' ' CE2' ' A' ' 36' ' ' PHE . 2.5 mm100 -65.52 -49.21 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.745 0.307 . . . . 0.0 111.801 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.686 ' HA ' HD23 ' B' ' 116' ' ' LEU . 19.6 t-160 -58.9 -40.79 85.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.552 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -72.75 -35.85 67.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.266 0.555 . . . . 0.0 110.014 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -65.21 -48.56 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -81.32 -38.72 26.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.494 -179.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.522 ' HA ' HG13 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -64.77 -35.09 79.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.456 179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.98 84.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.009 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -32.56 69.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.565 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . . . -56.91 -51.93 67.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.156 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.53 -36.05 70.88 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.486 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.78 -25.95 68.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.579 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.15 -28.27 24.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.637 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.15 29.61 2.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.851 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 -178.99 7.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.409 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 1.6 p -88.47 146.71 25.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.389 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.758 HD11 HD11 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -57.68 -29.86 35.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.162 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -60.58 -18.74 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.434 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -97.16 -57.86 2.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' B' ' 131' ' ' ALA . 0.0 OUTLIER -58.79 -50.43 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.996 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.786 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -65.23 -32.47 74.17 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.294 0.569 . . . . 0.0 110.392 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 128' ' ' LYS . 15.3 tp -64.57 -51.38 63.09 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.906 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.33 -27.94 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.171 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.499 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -58.48 -30.75 67.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.973 HD21 ' HG ' ' A' ' 35' ' ' LEU . 15.2 mt -78.12 -19.9 53.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.683 ' HZ ' HD22 ' A' ' 16' ' ' LEU . 14.6 m-85 -129.46 50.89 6.51 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.864 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 76.2 Cg_endo -91.14 -13.57 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.716 2.277 . . . . 0.0 112.84 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -46.64 139.8 7.15 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.989 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' B' ' 142' ' ' ALA . 35.9 m-20 -95.52 131.46 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.84 -21.24 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.474 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' B' ' 145' ' ' ALA . 0.7 OUTLIER -97.0 -15.12 21.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.395 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 139' ' ' ASP . . . -68.44 -49.14 62.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 111.463 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -58.43 -34.59 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.218 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -17.9 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.361 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 141' ' ' ASP . . . -58.04 -48.98 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.371 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' B' ' 149' ' ' LEU . 66.5 m95 -79.76 -18.13 51.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.461 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -84.02 0.38 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.545 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -118.11 -16.23 9.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.442 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' B' ' 146' ' ' TRP . 41.0 mt -60.94 -32.65 72.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.88 24.58 12.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 70.9 m -100.16 -31.11 11.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.743 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -47.24 5.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 pp -110.2 176.32 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 164.33 164.92 20.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.79 143.99 38.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.38 156.35 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.4 pt -84.53 171.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.85 164.3 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -172.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 161.69 -32.09 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.23 86.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.42 89.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.988 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 87.67 -78.81 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.38 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 1.2 mmpt? 60.53 163.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.498 HG22 ' N ' ' B' ' 166' ' ' SER . 11.1 p -86.32 159.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . 0.498 ' N ' HG22 ' B' ' 165' ' ' VAL . 3.4 p -70.78 64.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.503 ' O ' HG23 ' B' ' 167' ' ' THR . 5.7 t -97.11 89.46 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -64.53 -48.71 74.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 5.6 t -168.81 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.641 HG11 HD11 ' B' ' 173' ' ' ILE . 2.4 t -87.6 165.11 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.459 ' H ' HG12 ' B' ' 170' ' ' VAL . . . -78.43 115.57 4.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.844 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 47.11 -93.37 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.641 HD11 HG11 ' B' ' 170' ' ' VAL . 1.2 mt 61.36 150.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 111.059 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.77 -165.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 3.2 p30 44.8 -166.32 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.612 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.61 168.91 18.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 45.85 78.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.419 HD11 HG21 ' B' ' 173' ' ' ILE . 1.3 mt -89.79 -66.22 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.3 m -148.46 151.48 35.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.13 -14.58 63.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.752 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.66 -33.64 64.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -109.5 -21.17 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.113 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.721 0.296 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -60.3 87.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.724 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 12.2 ttp-105 -102.71 119.94 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD11 ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.18 139.59 34.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.287 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -107.71 120.83 43.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.804 HD12 HD13 ' B' ' 106' ' ' ILE . 37.1 mt -113.58 140.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.886 0.374 . . . . 0.0 111.986 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 35.8 t70 -99.0 124.34 43.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.036 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.737 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.2 163.19 26.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -83.18 153.83 24.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -62.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.56 -49.27 78.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -65.24 -46.8 79.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.579 0.228 . . . . 0.0 111.607 -179.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.788 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 22.6 t-160 -53.8 -18.84 3.57 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.598 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 29.6 mt-30 -83.63 -37.53 22.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.61 -49.66 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.507 -178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -81.56 -39.29 24.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HG2' HG21 ' A' ' 27' ' ' ILE . 7.5 tmtt? -64.15 -44.83 90.94 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.23 0.538 . . . . 0.0 110.214 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.67 -46.86 87.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.877 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.939 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -67.36 -31.54 71.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.455 0.645 . . . . 0.0 111.042 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -56.3 -32.07 64.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.821 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.03 -46.19 58.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.939 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -72.61 -19.88 61.39 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.724 -177.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -19.97 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.39 22.22 7.93 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.63 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.3 -174.94 4.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.777 0.322 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.1 t -92.55 149.13 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.888 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.917 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -43.25 -58.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.938 -179.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -50.1 -21.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.681 179.397 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -56.96 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.434 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.659 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.85 -48.19 82.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HD22 ' A' ' 35' ' ' LEU . . . -60.57 -35.58 76.41 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.057 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -53.78 -42.05 67.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.023 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 3.2 mt-10 -72.36 -25.56 61.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.452 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -83.64 -28.05 28.7 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -176.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.94 -22.4 65.94 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 118.972 0.806 . . . . 0.0 112.357 -178.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 4.6 m-85 -88.13 -50.45 0.42 Allowed Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' CD ' ' O ' ' A' ' 33' ' ' GLU . 45.0 Cg_endo -95.1 -163.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.331 2.687 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -72.99 1.04 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.918 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -158.42 161.28 37.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 110.735 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.31 18.66 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.656 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 3.1 m-20 -135.22 -45.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 46' ' ' TRP . . . -58.82 -25.58 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.402 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.97 -44.95 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.546 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -61.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.356 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -47.83 -64.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.781 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -52.06 -24.85 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.671 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -21.89 66.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.916 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.77 -9.66 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 46' ' ' TRP . 3.1 mm? -60.63 -29.93 69.55 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.022 0.439 . . . . 0.0 110.153 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.4 13.79 11.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.74 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -162.76 80.36 0.49 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.882 0.372 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 ttp -149.93 116.69 5.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.4 178.73 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.41 -170.62 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.536 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 131.57 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.701 0.286 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.84 55.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 58' ' ' ASN . 18.8 mm 63.84 161.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -159.77 106.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.17 134.24 56.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.8 45.73 1.81 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -160.52 74.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.956 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -176.64 52.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.54 87.0 0.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -58.05 -30.4 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 66' ' ' SER . 21.6 t -58.98 155.23 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -77.09 157.76 30.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -165.3 155.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.01 160.01 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.46 -37.41 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.14 151.19 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 125.07 3.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -85.72 103.11 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' ASP . 27.4 mm -110.02 109.51 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mp 65.42 -69.36 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.18 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t70 51.41 -171.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.169 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -174.31 147.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -68.37 70.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.96 -177.54 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.55 101.25 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.49 -26.83 20.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.669 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 62.38 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -101.39 20.1 16.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.206 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.72 0.295 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.07 67.67 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 7.6 ttm180 -94.71 121.56 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.515 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.809 HD11 HG13 ' B' ' 106' ' ' ILE . 0.1 OUTLIER -103.54 138.98 39.48 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.065 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -99.48 128.87 45.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.241 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.809 HG13 HD11 ' B' ' 104' ' ' LEU . 2.6 mp -122.08 126.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 12.2 t70 -97.97 124.74 42.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.492 ' HE1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.13 162.19 28.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.351 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.509 HG23 ' CB ' ' B' ' 112' ' ' GLN . 3.1 t -86.4 154.93 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.373 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -39.0 -69.75 0.12 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -58.86 -37.37 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.509 ' CB ' HG23 ' B' ' 109' ' ' THR . 37.7 tp60 -65.21 -49.57 69.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.1 t-160 -63.82 -24.65 67.84 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.712 0.292 . . . . 0.0 111.234 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.87 -30.52 64.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.97 0.414 . . . . 0.0 110.219 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.709 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.4 OUTLIER -67.25 -48.9 66.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.482 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.748 HD11 HG13 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -80.81 -41.83 22.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.3 OUTLIER -57.34 -47.43 81.61 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.003 0.43 . . . . 0.0 110.41 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.75 98.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.297 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.52 -38.13 77.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.521 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.99 -45.42 82.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.83 -37.93 70.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.578 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.97 -34.07 72.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.276 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -77.42 -11.24 59.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.001 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 95.99 31.42 7.33 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.709 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.36 -174.27 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 111.018 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.444 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 11.6 t -100.46 149.67 23.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.818 HG13 ' HB2' ' B' ' 131' ' ' ALA . 3.4 tt -49.45 -29.22 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.195 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.65 -23.16 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -46.45 4.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.654 ' OH ' HD22 ' B' ' 119' ' ' LEU . 80.7 t80 -65.01 -50.97 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.226 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.818 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.43 -37.81 88.0 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 121.5 0.666 . . . . 0.0 110.21 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.67 -51.49 55.5 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.34 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.51 -27.86 69.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.62 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -64.04 -37.32 87.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 35' ' ' LEU . 27.5 mt -72.06 -19.82 61.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 16' ' ' LEU . 2.2 m-85 -135.76 61.45 42.21 Favored Pre-proline 0 N--CA 1.453 -0.278 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.31 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 11.1 Cg_exo -71.53 -56.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.526 2.151 . . . . 0.0 112.025 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 167.08 159.7 13.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.21 169.39 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.88 71.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -76.03 -39.48 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.26 70.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.14 26.21 3.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.295 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -112.9 -39.19 4.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.5 63.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -68.77 -21.38 64.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . 0.566 ' HG2' ' HB3' ' B' ' 183' ' ' ALA . 2.7 mp0 -104.2 33.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.741 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.63 -34.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.37 -29.96 69.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.21 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.04 -23.0 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.6 m -60.49 -50.21 74.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 178.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 171.33 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -169.46 160.75 34.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.56 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 60.54 163.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -62.62 -57.87 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 157' ' ' ILE . 2.9 pp -147.21 178.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -176.6 144.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 109.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 133.71 43.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.567 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.419 HD23 ' N ' ' B' ' 162' ' ' ALA . 0.4 OUTLIER -160.56 174.62 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . 0.419 ' N ' HD23 ' B' ' 161' ' ' LEU . . . -174.12 -68.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -78.16 -114.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.461 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.54 47.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 35.8 m -96.46 170.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.13 74.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.0 t -60.79 173.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -177.69 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 1.9 m 62.5 175.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.0 88.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 73.13 -141.55 30.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.86 177.29 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 30.3 mm -110.7 104.8 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mp -135.85 -62.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.64 132.16 52.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -61.79 -174.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' B' ' 177' ' ' GLU . 10.1 pt-20 40.34 90.85 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.96 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.09 88.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 79.4 p -112.61 148.62 34.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 90.89 99.77 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.559 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.66 100.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 110.572 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 63.18 24.73 14.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.566 ' HB3' ' HG2' ' B' ' 147' ' ' GLN . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.792 0.33 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 p -91.51 48.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' B' ' 106' ' ' ILE . 13.0 ttt85 -108.13 128.98 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.706 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD22 HD11 ' B' ' 127' ' ' ILE . 0.1 OUTLIER -93.07 131.53 38.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.712 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.586 ' N ' HD12 ' A' ' 4' ' ' LEU . 3.3 m -117.37 120.67 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.278 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' B' ' 132' ' ' LEU . 15.1 tt -130.17 146.28 34.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -101.58 124.5 47.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.998 0.428 . . . . 0.0 110.341 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.471 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -129.28 162.51 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 12' ' ' GLN . 1.3 t -83.46 134.62 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -36.45 -42.74 0.35 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 15.3 pt20 -69.14 -50.11 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.603 ' OE1' HD21 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -66.93 -40.91 87.73 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 5.5 t-160 -61.17 -34.85 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 6.2 pt20 -72.36 -32.11 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.089 0.471 . . . . 0.0 110.736 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.91 -49.96 75.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.805 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.937 HD13 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -82.36 -33.48 28.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.957 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.937 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -66.85 -38.16 85.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.141 179.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.47 79.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.397 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -58.95 -35.99 74.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.537 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.83 -50.57 71.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.334 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.91 70.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.538 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.48 -34.47 75.53 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -24.16 55.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.958 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.33 28.25 3.11 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.607 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 1.9 pttt -160.11 -174.46 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.689 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 28' ' ' LYS . 4.4 t -100.9 150.96 22.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.921 ' CD1' HD21 ' A' ' 16' ' ' LEU . 1.5 tt -48.3 -31.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.141 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' O ' HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -55.7 -18.07 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.28 179.223 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -52.65 2.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.556 0.693 . . . . 0.0 109.916 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 24.8 t80 -58.9 -50.9 72.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.638 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.51 -32.46 74.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 110.406 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.2 tt -55.0 -46.0 75.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.703 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.2 -27.61 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.345 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 7.7 mtt180 -83.21 -25.62 31.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' CE ' ' B' ' 108' ' ' MET . 17.3 mt -67.59 -19.88 65.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.723 ' CE2' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -148.87 69.71 10.08 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.878 179.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 74.0 Cg_endo -89.85 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.969 2.446 . . . . 0.0 112.754 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.6 -92.24 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.611 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -125.33 129.83 50.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 134' ' ' ARG . . . -87.31 7.91 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.806 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.38 -38.75 85.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.966 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' B' ' 139' ' ' ASP . . . -62.31 -25.53 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.388 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.33 -14.95 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -105.42 -53.61 2.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.72 -63.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -20.17 29.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.543 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.7 -22.77 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 111.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -97.4 -11.54 23.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.392 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -32.65 71.77 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -104.4 -22.4 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -98.17 28.65 3.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.913 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 tpp -78.78 108.84 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.13 130.75 46.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.86 -159.56 21.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -85.49 -177.01 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -97.05 102.98 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.08 -35.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 177.8 -35.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.48 100.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.22 -65.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD13 ' HE2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -165.93 136.86 3.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.48 -79.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.47 25.49 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.376 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HE2' HD13 ' A' ' 61' ' ' LEU . 1.5 tppp? 53.82 32.78 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 65' ' ' VAL . 15.1 t -101.75 26.99 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t 56.69 91.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -60.95 170.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 140.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m 59.6 168.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -96.66 152.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.18 -88.34 1.06 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.435 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -146.88 101.28 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.4 139.59 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -110.81 -68.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -29.08 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 64.35 132.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' OE2' ' HB2' ' A' ' 83' ' ' ALA . 22.3 pt-20 -65.94 -164.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 79' ' ' SER . 2.6 pp -127.5 160.36 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.426 ' HB2' HD12 ' A' ' 78' ' ' LEU . 1.5 m 60.75 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.59 120.55 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.19 -34.14 70.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -140.76 28.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' OE2' ' A' ' 77' ' ' GLU . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 92.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mtt85 -99.24 131.85 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.2 133.82 42.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.312 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 17.5 m -117.23 122.49 44.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.631 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.586 HD11 ' O ' ' A' ' 28' ' ' LYS . 12.5 tt -130.05 151.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 112.057 -178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -96.76 124.79 40.84 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.836 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.671 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -128.7 163.43 25.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.023 -178.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.97 35.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -33.44 -63.02 0.26 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.94 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.725 0.298 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.97 -49.14 71.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 7.5 t-160 -56.01 -36.97 68.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.77 -30.19 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.24 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.721 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.63 -49.0 72.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.487 179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' B' ' 127' ' ' ILE . 0.1 OUTLIER -81.55 -36.12 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.094 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -63.13 -48.96 76.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 109.921 179.425 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.74 96.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.721 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.71 -38.7 78.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.555 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -57.02 -52.24 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.442 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.89 -30.82 65.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.109 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -48.35 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.455 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' B' ' 130' ' ' TYR . 2.5 pt20 -73.98 -10.51 59.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.455 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 103.27 39.8 2.55 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.502 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 3.7 pttt -160.41 -176.94 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.049 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.499 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 23.1 p -103.11 148.93 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.915 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.78 HG13 ' HB2' ' B' ' 131' ' ' ALA . 2.3 tt -51.01 -38.22 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.601 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 132' ' ' LEU . 0.0 OUTLIER -55.11 -16.55 3.09 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.209 178.653 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -52.67 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.629 0.728 . . . . 0.0 109.719 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' OE1' ' B' ' 123' ' ' GLN . 39.8 t80 -64.88 -50.81 65.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.537 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.78 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.2 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.973 ' HB2' HD11 ' A' ' 6' ' ' ILE . 2.1 tm? -55.67 -51.67 66.44 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.125 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -72.62 -29.82 63.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.651 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.09 -25.11 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.157 -179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.526 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 18.3 mt -77.68 -19.5 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.177 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 16' ' ' LEU . 10.2 m-85 -122.49 50.94 2.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.983 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 84.8 Cg_endo -88.25 -166.01 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.514 2.143 . . . . 0.0 112.19 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.4 82.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.531 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 42' ' ' ALA . 9.2 m-20 -102.7 148.55 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -139.9 11.3 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.568 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . 0.652 ' O ' ' HB3' ' B' ' 145' ' ' ALA . 2.8 p30 -61.42 -35.25 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.084 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -30.84 70.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.202 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -79.84 -31.52 40.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.409 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -106.25 -66.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' B' ' 141' ' ' ASP . . . -46.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -26.35 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -30.61 66.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.13 0.49 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.44 ' HG2' ' HB2' ' B' ' 152' ' ' MET . 0.6 OUTLIER -82.47 -32.89 28.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.369 179.639 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.09 -29.97 71.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -35.89 8.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.024 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 5.8 m -164.65 92.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . 0.44 ' HB2' ' HG2' ' B' ' 148' ' ' GLU . 8.6 ttt -76.5 138.45 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.31 139.78 41.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -168.53 -148.89 5.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.76 17.71 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.261 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 54.34 3.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 31.3 mt -146.07 147.38 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.443 ' HA ' HG21 ' B' ' 170' ' ' VAL . 5.0 p-10 -62.95 123.05 17.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.69 148.18 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -131.13 -58.57 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.689 HD13 ' H ' ' B' ' 162' ' ' ALA . 0.3 OUTLIER -161.07 147.08 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . 0.689 ' H ' HD13 ' B' ' 161' ' ' LEU . . . -174.56 -57.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -141.29 27.36 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.557 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.92 52.69 8.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.42 142.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 117.73 35.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 11.3 p 56.03 103.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 142.59 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -172.5 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.596 HG11 HD13 ' B' ' 173' ' ' ILE . 18.8 t -131.36 159.47 43.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.486 ' N ' HG12 ' B' ' 170' ' ' VAL . . . -99.33 -42.74 2.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.37 118.4 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.596 HD13 HG11 ' B' ' 170' ' ' VAL . 21.4 mm -87.11 112.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.78 174.0 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.85 -138.47 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 76.3 130.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -152.43 96.97 2.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.1 pp -143.82 147.72 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 28.6 t 62.86 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 166.76 -96.21 0.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 62.39 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 110.61 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . 0.425 ' NH1' HG13 ' B' ' 170' ' ' VAL . 83.7 mtt180 -113.32 21.6 15.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.749 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.244 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' N ' ' B' ' 108' ' ' MET . 0.2 OUTLIER -77.26 72.12 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.585 ' CD ' HG22 ' B' ' 105' ' ' THR . 0.0 OUTLIER -94.47 120.06 34.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.018 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -97.0 131.36 43.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.326 -179.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' CE ' ' B' ' 128' ' ' LYS . 21.1 m -99.61 120.26 39.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.925 HD11 HD21 ' A' ' 4' ' ' LEU . 8.5 mt -119.47 139.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 10.0 t70 -97.64 123.9 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.708 ' HE2' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -129.48 163.16 26.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.731 -179.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.15 155.15 23.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.948 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.82 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.285 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 3.5 tt0 -58.86 -43.5 90.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.854 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -65.43 -49.13 70.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.777 0.322 . . . . 0.0 111.724 -179.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 8' ' ' MET . 13.4 t-160 -56.45 -38.13 71.23 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.036 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 8.6 pt20 -71.92 -33.23 68.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.096 0.475 . . . . 0.0 110.386 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -49.47 77.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.507 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD12 HD23 ' B' ' 135' ' ' LEU . 4.1 mm? -81.8 -39.76 23.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -60.98 -31.97 71.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.93 0.395 . . . . 0.0 110.069 179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.12 -42.3 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.66 70.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -56.99 -51.87 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.488 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.6 -34.83 70.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.596 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.38 -34.39 75.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -23.74 54.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.909 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.41 29.23 3.02 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.599 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.11 -176.76 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.967 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -96.44 147.92 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -49.42 -32.06 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.07 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HA ' HG13 ' B' ' 106' ' ' ILE . 7.9 mtpt -55.22 -21.34 13.59 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.253 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.8 -47.33 5.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.463 0.649 . . . . 0.0 109.765 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 54.4 t80 -65.09 -50.99 63.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.283 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB1' HD11 ' B' ' 135' ' ' LEU . . . -65.56 -36.75 84.7 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.256 0.551 . . . . 0.0 109.752 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 ' HB2' HD11 ' B' ' 106' ' ' ILE . 4.7 tp -54.82 -51.12 66.84 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.678 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -72.21 -27.85 62.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 18.3 tpt180 -66.75 -24.39 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.055 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.759 ' O ' HD21 ' B' ' 116' ' ' LEU . 14.1 mt -77.99 -23.61 48.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.319 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.956 ' CD2' HD13 ' B' ' 116' ' ' LEU . 0.7 OUTLIER -127.05 51.13 6.02 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.5 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 54.9 Cg_endo -92.09 -18.95 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.64 2.226 . . . . 0.0 113.125 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.4 -125.4 7.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.789 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.08 151.25 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.63 15.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.038 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -61.55 -49.48 76.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.76 -27.63 51.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.407 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.93 -6.93 18.47 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.841 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -120.63 -60.87 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.291 . . . . 0.0 111.21 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.5 -45.07 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.329 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -83.64 -18.15 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -19.71 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.381 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HA ' ' N ' ' A' ' 52' ' ' MET . 1.1 mt-10 -123.92 -20.1 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.611 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.61 -29.64 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.011 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -8.54 11.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.104 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.5 m -131.72 -94.67 0.36 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.493 ' N ' ' HA ' ' A' ' 48' ' ' GLU . 4.5 ttp 72.26 -64.21 0.4 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.49 34.77 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.15 155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.995 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -115.86 -72.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tt -155.95 26.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -77.13 -44.09 31.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 p30 43.66 33.3 0.66 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.536 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.92 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -151.22 -177.2 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -173.27 -41.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.69 97.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt 66.54 -71.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.681 0.276 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 66' ' ' SER . 21.1 t 65.7 156.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.069 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.437 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -109.89 58.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.5 m -66.23 149.35 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 83.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -137.36 -47.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -58.45 107.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.1 122.22 5.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 166.23 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 74' ' ' LEU . 22.3 mm -110.93 161.04 9.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -122.26 -64.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.051 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -164.79 163.27 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 61.46 114.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.39 107.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.25 -179.35 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 t -87.16 -54.97 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.91 -38.31 10.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.607 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.51 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -97.07 14.01 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.804 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.21 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 81.88 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 20.8 ttm105 -94.87 131.93 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -119.38 139.01 52.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.585 HG22 ' CD ' ' A' ' 3' ' ' ARG . 25.6 m -103.39 120.98 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 32' ' ' LEU . 15.9 tt -114.09 148.64 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.38 124.37 41.53 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.566 ' SD ' HG23 ' B' ' 106' ' ' ILE . 2.0 mmm -129.84 163.51 26.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.733 -178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.99 161.02 21.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.053 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -65.74 -42.52 90.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 114' ' ' GLN . 15.8 pt20 -69.02 -50.34 49.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -66.67 -49.53 65.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -179.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.655 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 10.9 t-160 -51.72 -37.66 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' B' ' 115' ' ' SER . 9.7 pt20 -71.89 -34.82 69.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 0.4 OUTLIER -60.96 -49.05 79.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.637 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.956 HD13 ' CD2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -81.32 -40.6 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.634 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.2 OUTLIER -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.45 0.643 . . . . 0.0 109.359 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.42 -47.17 74.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.558 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' B' ' 130' ' ' TYR . 0.3 OUTLIER -70.53 -32.05 69.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.501 -178.45 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.55 -37.03 69.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.79 -30.89 66.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.588 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.64 -19.95 65.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.469 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -95.44 29.99 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.402 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.15 26.66 56.34 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.782 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.2 pttt -152.09 -173.94 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.678 0.275 . . . . 0.0 110.653 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' B' ' 128' ' ' LYS . 8.9 t -110.65 157.24 19.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.604 HD13 HD13 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -53.78 -30.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.681 0.277 . . . . 0.0 110.841 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.34 -15.11 32.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -61.41 1.44 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.42 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.803 ' CZ ' HD11 ' B' ' 119' ' ' LEU . 11.4 t80 -58.89 -51.65 69.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.981 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.736 ' HB1' HD13 ' A' ' 35' ' ' LEU . . . -66.5 -38.73 87.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.542 0.687 . . . . 0.0 110.102 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.708 HD12 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -59.51 -51.12 71.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.027 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.5 -27.67 62.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.764 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -62.25 -34.28 76.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.901 0.382 . . . . 0.0 110.315 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -77.11 -19.78 56.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.923 178.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.659 ' CD2' HD23 ' A' ' 16' ' ' LEU . 1.9 m-85 -137.42 50.47 3.53 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.142 -179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 65.1 Cg_endo -91.96 26.44 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.62 2.213 . . . . 0.0 112.41 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 153.58 91.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -109.39 -177.55 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.92 10.55 1.98 Allowed 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.851 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.84 -24.48 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.313 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' B' ' 145' ' ' ALA . . . -55.7 -23.71 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.303 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 147' ' ' GLN . 0.7 OUTLIER -55.06 -27.01 41.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.04 -20.27 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.353 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 142' ' ' ALA . . . -62.87 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.263 0.554 . . . . 0.0 111.817 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' B' ' 149' ' ' LEU . 42.9 t-105 -81.61 -6.45 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.234 -178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' B' ' 143' ' ' ASP . 12.4 mm100 -97.37 25.93 5.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.76 0.314 . . . . 0.0 111.066 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.23 -41.02 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.499 HD21 ' CE3' ' B' ' 146' ' ' TRP . 3.7 pp -60.76 -29.86 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.614 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . 0.44 ' N ' HD12 ' B' ' 149' ' ' LEU . 0.2 OUTLIER -96.83 -13.78 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.028 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.7 m -54.04 -49.47 68.88 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.2 ttt -81.68 141.99 33.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.95 178.75 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -131.16 90.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 60.37 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -106.24 101.07 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.694 ' O ' HD13 ' B' ' 157' ' ' ILE . 0.0 OUTLIER -172.56 -41.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.422 ' N ' HG23 ' B' ' 157' ' ' ILE . 5.0 m-20 -59.05 120.04 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.23 -178.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.36 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 161' ' ' LEU . 1.3 tm? -160.82 -45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.33 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -151.98 54.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.57 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 60.18 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 165' ' ' VAL . 29.4 m -87.37 109.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -166.66 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 10.5 t -173.91 163.45 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.88 -179.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 21.5 m -65.82 -35.27 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.413 HG22 HH12 ' B' ' 182' ' ' ARG . 38.2 t -63.11 110.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 139.63 -156.31 24.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -123.16 31.28 6.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' ' 174' ' ' LEU . 23.2 mm -101.18 160.36 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.488 ' N ' HG22 ' B' ' 173' ' ' ILE . 1.2 tt 70.28 -65.1 0.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.83 91.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -24.25 62.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -152.31 118.34 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 121.89 30.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 6.2 p -72.64 -31.01 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.35 120.4 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.556 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -55.47 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.365 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . 0.413 HH12 HG22 ' B' ' 170' ' ' VAL . 0.6 OUTLIER 65.06 23.2 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.15 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 108' ' ' MET . 0.1 OUTLIER -113.62 68.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.907 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -94.74 119.69 33.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.947 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD22 HD11 ' B' ' 127' ' ' ILE . 0.0 OUTLIER -114.2 139.27 49.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' B' ' 103' ' ' ARG . 90.9 m -91.46 120.45 32.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG23 ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -101.23 122.52 53.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.741 -178.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -101.17 124.53 47.02 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 111.81 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.732 ' CE ' HD12 ' B' ' 135' ' ' LEU . 0.1 OUTLIER -130.48 162.91 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.755 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.832 HG22 ' HB2' ' A' ' 12' ' ' GLN . 7.6 t -83.32 161.3 21.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -29.28 -71.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 -34.14 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.832 ' HB2' HG22 ' A' ' 9' ' ' THR . 3.0 tp60 -54.91 -49.48 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 22.9 t-160 -71.75 -31.04 66.25 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 mt-30 -82.89 -34.64 26.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.834 0.349 . . . . 0.0 111.218 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.6 t -60.96 -48.08 83.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' HB3' ' CE2' ' B' ' 136' ' ' PHE . 0.3 OUTLIER -81.66 -39.49 24.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.971 -179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -67.25 -36.41 81.57 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.882 -179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' LEU . . . -63.99 -32.49 74.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -70.14 -35.02 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.051 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . . . -56.79 -49.22 75.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.19 66.98 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -67.98 -38.22 82.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -27.24 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.76 31.64 1.74 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.615 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -160.12 -173.08 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.443 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 17.5 p -102.14 146.67 27.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.031 HD11 HD22 ' B' ' 104' ' ' LEU . 0.9 OUTLIER -52.06 -39.22 25.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.054 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' B' ' 106' ' ' ILE . 14.1 mtpt -59.61 -14.34 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.269 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -61.26 1.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.562 0.696 . . . . 0.0 110.035 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.93 -51.12 71.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.613 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' B' ' 135' ' ' LEU . . . -66.38 -36.56 83.16 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.506 0.67 . . . . 0.0 110.137 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD13 ' SD ' ' B' ' 108' ' ' MET . 9.7 tp -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.26 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.28 -27.84 66.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.134 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -81.33 -16.6 51.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.929 -178.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.719 ' HB3' HD22 ' B' ' 116' ' ' LEU . 42.3 mt -77.29 -23.23 51.14 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 109.905 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.645 ' HE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.97 52.74 5.29 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.324 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 72.0 Cg_endo -92.34 -177.25 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.793 2.329 . . . . 0.0 112.452 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.17 81.14 0.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.613 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.08 165.01 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.19 -17.51 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -37.08 67.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.675 0.274 . . . . 0.0 111.059 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.21 -26.81 63.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.321 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -25.98 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.266 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -28.32 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.195 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 42' ' ' ALA . . . -57.03 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.317 0.579 . . . . 0.0 111.6 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CZ2' HD22 ' A' ' 49' ' ' LEU . 39.3 t-105 -71.55 -16.38 62.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.862 -178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -67.69 -22.17 65.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -86.09 -8.08 58.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.272 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 48.1 tp -60.8 -32.57 71.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.021 0.438 . . . . 0.0 110.399 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -22.42 24.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.615 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 70' ' ' VAL . 69.8 m -54.56 -38.43 66.65 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.701 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.6 ptp -85.79 117.09 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 mt -116.33 -39.22 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.42 -73.12 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.41 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 58.83 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.67 48.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 57' ' ' ILE . 22.4 mt 65.74 46.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -59.65 100.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.69 124.83 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.85 39.01 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.08 87.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 110.98 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -71.25 0.69 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.15 29.49 0.23 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm 55.07 84.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 ' N ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -157.48 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.688 ' N ' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER 49.35 47.98 21.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 0.0 111.28 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 68.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 -45.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -166.62 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.604 ' N ' HG23 ' A' ' 51' ' ' THR . 19.7 t -143.84 159.39 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 70' ' ' VAL . . . 163.26 155.04 7.94 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -31.27 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.8 144.97 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 mt -104.1 -169.65 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.1 174.73 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.31 97.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -156.58 114.79 3.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.05 -53.18 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -110.19 147.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.82 -149.56 16.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.72 79.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.392 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 67.89 22.91 8.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.27 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.118 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.29 52.03 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.134 0.492 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 5' ' ' THR . 10.2 ttp180 -113.47 119.4 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.092 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 1.031 HD22 HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -96.72 139.27 33.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.725 0.298 . . . . 0.0 111.567 -179.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 18.7 m -114.29 126.98 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.945 HD11 HD21 ' B' ' 104' ' ' LEU . 4.0 mt -130.08 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -97.04 124.24 40.98 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.767 ' SD ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -128.7 163.25 25.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.505 -177.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.31 149.04 27.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -56.59 17.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.76 -50.6 73.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.516 ' NE2' ' CZ ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -66.34 -40.86 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.305 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 18.7 t-160 -60.16 -17.84 43.65 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' B' ' 118' ' ' ALA . 43.0 mt-30 -83.15 -39.93 20.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 110.635 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.785 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.1 OUTLIER -60.79 -44.24 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 35' ' ' LEU . 1.2 tp -81.28 -48.71 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.34 -39.15 86.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.658 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.456 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -68.18 -42.72 79.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.491 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.785 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -60.48 -34.65 74.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.294 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.99 -52.11 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.654 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.78 -34.35 69.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.704 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 118' ' ' ALA . 3.3 mp -59.93 -42.27 93.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.762 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.34 65.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.48 32.39 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.6 ptpt -159.14 -176.83 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -98.16 145.81 26.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.426 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' HB2' ' B' ' 131' ' ' ALA . 0.2 OUTLIER -46.79 -36.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 -179.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.84 -27.59 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 109.971 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.56 -51.02 4.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.382 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.574 ' CE2' HD12 ' B' ' 116' ' ' LEU . 65.4 t80 -59.62 -50.56 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.902 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -61.64 -36.66 81.42 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.509 0.671 . . . . 0.0 109.437 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.567 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.5 tt -58.09 -51.07 71.23 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.208 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.85 -27.8 63.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.83 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.573 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 9.7 mtt180 -81.38 -17.42 49.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.79 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.83 HD22 ' HB1' ' A' ' 31' ' ' ALA . 33.3 mt -78.22 -19.69 53.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.728 0.299 . . . . 0.0 110.483 179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -127.02 48.96 3.6 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.965 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 88.0 Cg_endo -89.22 145.97 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.351 2.034 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 132.83 82.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -139.06 150.05 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -130.43 7.02 4.89 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.679 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.89 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -89.67 -31.03 17.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -85.14 -57.26 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.16 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.347 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -65.22 -19.4 65.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.263 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -24.68 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.04 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -1.05 47.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -30.37 69.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -20.01 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.435 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 -70.44 0.71 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 6.9 tpt 53.13 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.77 150.06 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 174.65 56.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -126.45 156.05 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 60.65 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 20.4 mt -134.12 -68.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.55 148.15 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -61.49 107.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 179.5 -81.22 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.21 159.65 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.57 36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.99 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.614 ' HG3' HG12 ' B' ' 165' ' ' VAL . 0.0 OUTLIER -69.3 -71.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.614 HG12 ' HG3' ' B' ' 164' ' ' LYS . 10.8 p -173.81 135.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.2 120.39 38.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 2.3 t -177.16 95.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 122.63 40.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 8.0 t -116.66 -57.17 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.51 124.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -137.65 105.31 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.97 75.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 29.2 mm -113.14 91.66 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.74 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.29 -79.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 73.6 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.69 62.52 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.34 -69.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 4.1 m -133.35 -62.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 160.67 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.82 100.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 65.99 23.42 11.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.208 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.86 87.8 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 10.2 ttm180 -94.72 121.78 36.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -107.44 133.5 51.85 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.357 . . . . 0.0 110.964 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -96.54 132.23 42.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.11 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD21 ' A' ' 4' ' ' LEU . 11.4 mt -128.92 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.763 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.543 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.0 t0 -102.23 124.08 47.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.41 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.787 ' SD ' HD23 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -129.75 162.12 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.547 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 12' ' ' GLN . 3.6 t -83.97 150.94 25.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.74 -61.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.78 -49.3 78.17 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -60.67 -47.51 85.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.698 0.285 . . . . 0.0 111.674 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.776 ' CD2' ' HG2' ' A' ' 17' ' ' LYS . 2.4 t-80 -61.28 -17.91 55.84 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.833 0.349 . . . . 0.0 111.127 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 29.0 mt-30 -83.52 -36.54 23.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -60.88 -48.86 79.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.638 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD23 ' CE2' ' B' ' 136' ' ' PHE . 0.6 OUTLIER -80.98 -34.92 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.766 -179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.996 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -67.36 -30.53 70.35 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.975 0.893 . . . . 0.0 108.651 179.507 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLN . . . -65.54 -46.14 80.72 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.475 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -68.37 -39.41 81.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.966 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -57.0 -42.62 80.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.11 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.9 -35.87 69.84 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 22' ' ' LEU . 20.3 mt -73.79 -19.66 60.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 28.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.565 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.67 30.15 68.41 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.085 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 2.9 pttt -160.17 -163.11 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.606 0.241 . . . . 0.0 110.573 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 28' ' ' LYS . 10.0 t -120.11 155.93 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.966 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -49.19 -29.02 3.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.422 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HB3' HG23 ' A' ' 26' ' ' THR . 3.9 tppp? -53.44 -26.2 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.154 0.502 . . . . 0.0 110.384 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -107.64 -45.2 4.09 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.759 ' HE2' HD13 ' A' ' 16' ' ' LEU . 43.3 t80 -58.68 -51.4 70.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.746 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . -66.51 -32.57 74.01 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.106 0.479 . . . . 0.0 110.708 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 28.1 tp -54.86 -51.07 67.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.722 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.43 -28.01 62.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.409 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -59.44 -32.59 70.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD21 ' B' ' 116' ' ' LEU . 17.4 mt -74.0 -19.76 60.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' B' ' 116' ' ' LEU . 3.7 m-85 -129.76 59.65 46.28 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.459 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 7.7 Cg_exo -72.65 -67.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.409 2.073 . . . . 0.0 112.22 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.97 -36.56 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.09 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.1 148.48 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.65 9.75 3.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.672 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -109.81 -31.91 7.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.46 -73.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.83 -38.71 86.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.86 -22.8 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.85 -62.19 1.82 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.784 0.325 . . . . 0.0 111.294 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -59.59 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -100.62 32.0 3.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 110.521 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.33 -42.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.776 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.77 -41.38 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -89.21 -42.0 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 m -163.75 106.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -93.71 130.77 39.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.72 108.61 19.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.44 -67.8 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 m120 66.33 -72.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.54 175.26 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.61 149.97 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.08 166.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.48 -70.04 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.81 5.39 3.39 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.053 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp 57.04 157.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.978 0.418 . . . . 0.0 111.343 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.02 -71.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -123.66 29.18 5.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 3.0 mmpt? -59.51 170.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 65' ' ' VAL . 26.9 m -120.58 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -101.4 135.39 42.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 t -176.91 129.93 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.11 117.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 m -116.47 -171.2 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.12 91.96 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.373 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.58 -157.18 48.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 -161.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.681 0.277 . . . . 0.0 110.721 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -95.68 86.54 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.399 . . . . 0.0 111.008 179.727 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.06 -169.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.92 105.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.7 mt-10 -51.86 144.71 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.87 77.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -104.76 -30.19 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -148.72 164.04 35.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.76 -17.66 54.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.65 102.89 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.794 0.33 . . . . 0.0 110.767 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 24.1 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.693 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.246 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.332 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.28 86.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 43.8 ttm-85 -94.86 124.16 38.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.787 HD23 ' SD ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -112.61 139.14 48.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 111.264 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -98.71 132.28 44.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.741 HD11 HD21 ' B' ' 104' ' ' LEU . 1.7 mp -124.1 139.61 49.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.806 0.336 . . . . 0.0 111.75 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 29.0 t0 -97.81 124.91 42.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.485 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.62 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.79 162.79 26.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.807 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.44 151.57 25.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -45.46 -55.98 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.921 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -69.0 -40.26 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.33 75.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.437 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.694 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 8.8 t-160 -60.63 -27.52 67.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.221 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.41 -32.21 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.996 0.426 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.599 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.3 OUTLIER -64.66 -49.2 71.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.336 179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -81.59 -44.37 17.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -56.96 -48.06 79.25 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.07 91.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.599 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -61.62 -33.85 74.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.262 179.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.712 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.89 -51.7 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.503 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.75 -30.89 66.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.898 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.47 67.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.382 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.37 31.6 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.638 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.23 36.4 52.42 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.035 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 5.9 ptpt -160.16 -173.07 3.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 49.4 p -114.98 144.85 42.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.712 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.2 OUTLIER -48.65 -32.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.528 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 4.7 tppp? -50.06 -26.12 4.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.248 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.81 -45.36 3.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.532 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 45.9 t80 -58.93 -51.96 67.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.726 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -66.33 -35.76 81.17 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.309 0.576 . . . . 0.0 110.042 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.16 -51.35 66.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.728 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.52 -27.95 62.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.376 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.43 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.3 tpt180 -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 34' ' ' ARG . 13.8 mt -77.16 -19.77 56.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' A' ' 16' ' ' LEU . 9.8 m-85 -129.09 56.02 21.54 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.499 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 93.0 Cg_endo -90.45 95.77 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.515 2.143 . . . . 0.0 112.446 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.6 -157.61 10.21 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.611 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -109.71 163.74 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.08 8.1 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -34.26 41.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.66 98.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.75 -29.23 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.3 -27.7 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.26 -35.72 70.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -90.21 14.8 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.465 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.78 -17.82 12.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.675 0.274 . . . . 0.0 111.338 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.46 -4.74 37.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.379 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.76 -32.45 71.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -25.39 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.597 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.809 HG22 HD21 ' B' ' 153' ' ' LEU . 0.0 OUTLIER -127.19 79.07 1.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.9 ptm -98.85 26.39 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.809 HD21 HG22 ' B' ' 151' ' ' THR . 0.5 OUTLIER -97.41 84.8 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.56 91.66 1.75 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -121.84 32.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -137.55 155.37 49.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 2.2 pt -60.18 135.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -177.22 125.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.29 139.69 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -59.61 -62.15 6.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.479 HD13 HG21 ' B' ' 165' ' ' VAL . 0.2 OUTLIER -165.48 -50.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.5 90.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 72.39 37.97 58.53 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' B' ' 164' ' ' LYS . 0.0 OUTLIER 60.76 99.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.479 HG21 HD13 ' B' ' 161' ' ' LEU . 15.4 m -82.49 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 19.3 m -116.12 76.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 3.5 m -165.0 104.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -73.06 169.52 16.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 6.7 t -94.32 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 96.2 t 45.84 92.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.372 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -114.51 28.37 8.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.623 0.249 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.2 mm 49.69 95.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.834 0.35 . . . . 0.0 111.41 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.83 158.18 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.25 65.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.1 113.37 7.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.6 86.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 25.3 mt 60.62 171.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 36.1 m 60.51 86.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.24 2.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.56 -31.91 68.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.24 28.36 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.076 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' ' N ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -77.28 78.64 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.562 ' HD3' HG22 ' B' ' 105' ' ' THR . 19.6 ttm-85 -100.19 126.6 46.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.687 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -111.84 139.32 47.42 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.983 0.421 . . . . 0.0 111.024 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 1.7 m -97.96 120.16 37.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' SD ' ' A' ' 8' ' ' MET . 12.6 mt -108.85 139.17 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.548 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -97.48 124.57 41.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.782 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.791 ' SD ' HD13 ' B' ' 132' ' ' LEU . 1.2 mmm -129.16 162.29 28.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 12' ' ' GLN . 1.1 p -87.6 161.08 17.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.918 0.39 . . . . 0.0 110.598 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HA ' ' OG ' ' B' ' 102' ' ' SER . 29.5 t0 -58.49 -53.48 57.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.168 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.31 -49.73 53.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' NE2' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.848 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.5 t-160 -59.46 -20.75 57.54 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 120.674 0.273 . . . . 0.0 111.179 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.85 -32.76 40.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.353 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -50.42 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.97 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.924 HD21 HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -82.39 -36.36 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -56.88 -45.1 82.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.09 0.471 . . . . 0.0 109.999 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.85 96.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -58.74 -32.99 69.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.491 179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -60.33 -52.2 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.485 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.61 -34.85 70.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.493 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.1 -34.7 73.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.36 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -26.69 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.817 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.39 24.38 3.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.07 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.21 -174.84 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 t -94.25 152.12 18.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.324 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.924 HD12 HD21 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -52.77 -31.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.79 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' H ' ' B' ' 107' ' ' ASP . 0.5 OUTLIER -49.1 -25.44 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -49.35 3.76 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-O 121.484 0.659 . . . . 0.0 109.913 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 19' ' ' LEU . 76.8 t80 -58.69 -50.94 72.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.509 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.912 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.66 -32.47 74.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.424 0.631 . . . . 0.0 110.498 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -56.28 -51.83 66.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.984 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.23 -29.61 62.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.899 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 1.1 tpm_? -54.99 -30.22 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.236 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.604 ' O ' HD21 ' B' ' 116' ' ' LEU . 39.7 mt -77.23 -19.79 56.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.012 0.434 . . . . 0.0 109.986 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.932 ' CE2' HD23 ' B' ' 116' ' ' LEU . 20.3 m-85 -127.45 55.06 14.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.392 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 36' ' ' PHE . 71.9 Cg_endo -88.31 -52.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.731 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.51 -85.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 145.41 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 8.1 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.681 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -24.19 13.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.715 0.293 . . . . 0.0 111.323 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.13 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.31 -33.24 70.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -94.83 -15.82 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.385 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.806 0.336 . . . . 0.0 111.24 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -78.31 -20.57 51.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 0.55 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.39 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -112.61 -15.88 12.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.661 0.267 . . . . 0.0 111.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 -31.4 70.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.674 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -22.19 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.513 HG21 ' H ' ' B' ' 164' ' ' LYS . 90.6 m -56.53 -31.89 64.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -72.52 148.58 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mt -118.44 60.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.28 82.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -135.28 77.44 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 58' ' ' ASN . 8.5 mtt180 -138.3 -86.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.8 mm 67.18 -66.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.3 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -169.07 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 t0 50.96 -178.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.351 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.64 -30.94 2.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 55.26 168.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 111.268 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.596 ' H ' HD23 ' A' ' 61' ' ' LEU . . . -178.05 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.77 -81.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.556 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -154.71 167.59 29.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 m -143.51 150.83 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.89 138.13 48.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.703 HG21 ' HG2' ' B' ' 164' ' ' LYS . 68.7 p -65.4 -178.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -174.53 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.056 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.8 ' C ' HG12 ' B' ' 165' ' ' VAL . 68.4 m -129.91 -172.97 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' B' ' 161' ' ' LEU . 4.9 t -119.01 163.06 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -52.51 -87.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.712 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' B' ' 161' ' ' LEU . 0.0 OUTLIER -59.7 158.94 9.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -134.17 177.98 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -114.6 -45.74 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.14 -176.87 5.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.35 64.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.93 119.34 26.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.32 166.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 172.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.52 17.96 57.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.669 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -65.14 -57.81 7.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.26 -17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.02 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.099 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER 42.97 32.28 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.726 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.53 119.55 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.67 HD11 HG12 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -105.46 139.66 39.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 111.755 -178.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.562 HG22 ' HD3' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -97.36 120.81 38.41 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.212 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.67 HG12 HD11 ' B' ' 104' ' ' LEU . 55.7 mt -112.6 135.89 50.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.958 -178.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 3.6 t70 -97.5 124.67 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.696 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.38 27.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.65 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.428 HG23 ' OE1' ' B' ' 112' ' ' GLN . 0.3 OUTLIER -83.18 141.29 32.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.145 179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 2' ' ' SER . 1.6 t70 -44.06 -49.64 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.256 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -49.57 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' N ' ' B' ' 113' ' ' HIS . 5.7 pt20 -65.39 -42.27 92.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.621 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.643 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 5.7 t-160 -60.04 -25.79 65.62 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.777 0.322 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -72.16 -33.86 68.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.07 0.462 . . . . 0.0 109.922 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.793 ' O ' HD12 ' B' ' 119' ' ' LEU . 2.1 m -69.19 -49.2 58.76 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.932 HD23 ' CE2' ' A' ' 36' ' ' PHE . 1.5 mm? -81.19 -44.0 18.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.997 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -58.36 -48.02 81.94 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.793 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.76 -42.5 89.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.605 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -56.79 -42.58 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 0.0 110.478 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -33.54 68.97 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 122' ' ' LEU . 23.1 mt -73.28 -19.99 60.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.145 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -91.93 23.83 3.51 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.463 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.96 84.21 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.104 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 1.4 pttt -160.2 -168.32 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.628 0.251 . . . . 0.0 110.871 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.9 t -114.62 148.43 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.605 ' N ' ' HB1' ' B' ' 120' ' ' ALA . 0.1 OUTLIER -48.6 -36.3 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.82 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 5' ' ' THR . 11.7 mmmm -50.52 -25.77 4.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.092 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -54.09 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.551 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' B' ' 134' ' ' ARG . 23.7 t80 -58.79 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.658 -178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.553 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.23 -42.69 88.3 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.448 0.642 . . . . 0.0 110.091 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.791 HD13 ' SD ' ' A' ' 8' ' ' MET . 2.1 tp -54.5 -45.74 73.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.793 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 1.5 mm-40 -72.1 -27.12 62.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 130' ' ' TYR . 0.0 OUTLIER -83.34 -12.08 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.037 -179.081 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.582 HD22 ' HB1' ' A' ' 31' ' ' ALA . 14.9 mt -77.31 -18.43 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.0 111.546 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.534 ' HB2' ' HD3' ' B' ' 137' ' ' PRO . 6.0 m-85 -88.72 -46.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.534 ' HD3' ' HB2' ' B' ' 136' ' ' PHE . 5.4 Cg_exo -77.49 -158.55 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.836 2.358 . . . . 0.0 112.313 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -147.02 -146.8 4.42 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.96 159.47 15.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.6 16.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.523 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 145' ' ' ALA . 0.9 OUTLIER -96.06 -39.5 9.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.142 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.19 -66.2 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.44 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.0 -27.19 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -92.18 -15.57 27.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.506 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 141' ' ' ASP . . . -57.21 -70.61 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.752 0.311 . . . . 0.0 111.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.531 ' HA ' HD23 ' B' ' 149' ' ' LEU . 78.6 m95 -76.47 -11.8 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.566 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -86.31 6.58 29.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.385 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -129.18 -8.32 4.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.522 0.201 . . . . 0.0 111.514 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 146' ' ' TRP . 1.9 mm? -60.88 -29.99 69.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.091 0.472 . . . . 0.0 110.084 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -107.43 -19.7 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.637 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.12 -50.87 5.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.211 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 13.3 ttt 68.51 123.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.502 ' C ' HD12 ' B' ' 153' ' ' LEU . 4.1 pp -58.81 174.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.67 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -165.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.94 170.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . . . . . . . . . 28.7 mm 63.97 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.3 -172.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -68.29 -60.0 5.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.661 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.571 ' HB3' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -162.24 -70.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -179.71 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -63.11 -119.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.212 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . 0.703 ' HG2' HG21 ' A' ' 67' ' ' THR . 0.3 OUTLIER -177.95 159.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 69' ' ' SER . 14.8 p -135.9 158.79 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . 0.48 ' N ' HG22 ' B' ' 165' ' ' VAL . 1.4 m -135.21 160.21 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 166' ' ' SER . 0.0 OUTLIER -176.96 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.81 89.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 29.7 t -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 171' ' ' GLY . 21.2 t -124.49 155.72 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.428 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 152.42 162.8 11.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.73 134.54 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 25.8 mm -99.74 147.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -126.69 168.44 14.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.5 t70 49.93 57.36 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -173.39 -173.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 178' ' ' LEU . 3.4 mp -70.2 157.61 37.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.1 m -97.74 166.06 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 38.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.707 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.01 -38.23 69.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.488 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.15 1.99 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.185 -179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.871 0.367 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.57 68.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.714 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 22.4 ttm180 -94.95 128.53 41.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -114.12 139.36 49.39 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.897 0.379 . . . . 0.0 111.477 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.405 HG22 ' HD3' ' B' ' 103' ' ' ARG . 8.0 m -100.19 120.67 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 4' ' ' LEU . 64.4 mt -114.6 137.76 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t70 -97.97 124.75 42.57 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.603 178.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -128.89 162.37 27.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.695 -179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' ' 12' ' ' GLN . 6.9 t -83.69 161.09 21.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 0.0 110.697 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.13 -71.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -58.7 -49.51 77.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' CE2' ' B' ' 136' ' ' PHE . 0.0 OUTLIER -56.38 -49.36 74.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.66 0.266 . . . . 0.0 111.55 -179.058 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 11.6 t-160 -57.8 -34.94 70.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 43.2 mt-30 -72.65 -29.64 63.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -60.85 -50.29 74.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.241 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD12 ' A' ' 27' ' ' ILE . 3.2 tp -82.83 -40.88 19.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -61.02 -45.8 93.34 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.742 0.306 . . . . 0.0 110.447 -179.578 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -61.93 -45.68 92.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -62.39 -34.65 77.13 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.706 178.77 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -61.03 -48.69 80.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.147 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.74 -33.33 68.61 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.81 -19.61 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.99 27.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.549 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.65 31.94 68.35 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.971 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -160.06 -171.79 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.594 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -113.48 145.28 41.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.44 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.79 HD12 HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -46.07 -30.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 -179.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.23 -17.03 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.836 179.077 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.5 -51.47 2.84 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.286 0.565 . . . . 0.0 110.143 179.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.05 -51.98 67.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.817 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -66.35 -39.85 89.43 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.755 0.788 . . . . 0.0 109.603 178.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.893 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.5 tm? -54.7 -46.6 74.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.615 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.3 mm-40 -72.14 -27.67 62.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.849 -179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' B' ' 134' ' ' ARG . 2.5 mpt_? -91.0 -7.34 52.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 mt -77.9 -25.58 48.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' B' ' 116' ' ' LEU . 23.0 m-85 -94.12 -46.91 0.29 Allowed Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 91.7 Cg_endo -86.71 159.33 9.11 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.69 2.26 . . . . 0.0 112.271 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -84.39 1.1 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.2 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -155.52 149.02 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.971 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.93 13.45 1.87 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 45' ' ' ALA . 1.1 t70 -103.53 -46.66 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.72 61.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.361 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.01 -31.19 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.38 -58.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.1 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . . . -49.78 -58.02 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.454 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -66.94 -22.19 65.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -21.81 66.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.05 -11.46 18.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.289 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -60.71 -30.03 69.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.927 0.394 . . . . 0.0 110.604 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -29.51 9.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.738 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -152.42 100.6 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.8 ttt -90.99 -68.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.42 87.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -120.51 -23.46 2.85 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.33 -11.5 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.742 0.271 . . . . 0.0 111.527 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 63.75 132.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -135.1 128.05 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.251 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.08 99.67 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' HB3' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -60.45 -52.21 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.77 23.1 78.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -65.83 -75.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.11 75.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.37 90.94 0.7 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.48 163.64 3.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -152.27 136.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -78.07 165.56 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -176.68 114.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -124.16 -49.96 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.21 138.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.66 75.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.609 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.56 37.45 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.4 ' C ' HD22 ' A' ' 74' ' ' LEU . 24.7 mm -87.27 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.594 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.8 mm? -108.04 -65.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -70.21 66.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 102.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.72 -31.42 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.3 p -140.97 167.23 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.54 140.13 18.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -54.32 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.692 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -117.96 23.82 11.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.184 -179.926 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.22 59.61 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 12.9 ttm180 -95.0 124.02 38.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.917 HD21 HD11 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -108.11 139.42 42.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 111.636 -179.364 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -98.09 133.67 42.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.917 HD11 HD21 ' B' ' 104' ' ' LEU . 74.5 mt -130.1 143.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.486 ' HA ' ' HA ' ' A' ' 3' ' ' ARG . 4.4 t70 -100.9 124.82 47.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.019 179.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.774 ' HE1' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.86 162.83 26.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.68 -179.66 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -83.38 148.35 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.428 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -49.15 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.912 -179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -58.86 -43.02 90.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.709 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -49.47 69.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.784 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 3.1 t-160 -49.59 -30.96 9.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 111.315 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -70.5 -25.15 63.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.478 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.2 OUTLIER -64.31 -50.53 67.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.189 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.934 HD12 ' N ' ' B' ' 117' ' ' LYS . 3.2 pp -82.8 -35.67 26.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 178.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.934 ' N ' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -61.68 -49.72 75.38 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.134 0.492 . . . . 0.0 109.907 179.785 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.62 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.191 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.65 -33.01 69.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.583 ' HB1' ' N ' ' B' ' 127' ' ' ILE . . . -62.78 -45.92 90.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.713 179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.73 -31.36 66.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.673 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.26 -21.21 63.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.231 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -94.3 17.67 12.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 68.15 28.49 73.33 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.845 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 27.7 mttt -151.43 -170.43 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.456 ' C ' ' HB1' ' B' ' 120' ' ' ALA . 6.3 t -111.17 152.7 26.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.031 179.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.877 HG13 ' HB2' ' B' ' 131' ' ' ALA . 1.5 tt -48.27 -33.91 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.06 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -50.64 -24.99 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.948 0.404 . . . . 0.0 110.426 179.203 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -57.03 2.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.562 0.696 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.75 -51.23 70.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.983 -178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.877 ' HB2' HG13 ' B' ' 127' ' ' ILE . . . -65.69 -35.63 81.32 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.381 0.61 . . . . 0.0 110.441 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.91 -51.29 67.5 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.263 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.32 -28.02 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.888 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -54.65 -32.09 58.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.641 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 35' ' ' LEU . 5.5 mt -77.05 -22.99 52.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.882 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.477 ' N ' ' HD3' ' B' ' 137' ' ' PRO . 12.5 m-85 -129.92 57.49 31.18 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.2 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 136' ' ' PHE . 90.6 Cg_endo -90.5 136.27 2.24 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.763 2.309 . . . . 0.0 112.452 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.48 109.08 3.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -150.78 150.08 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -134.68 8.75 3.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.732 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.32 -35.78 8.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.45 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -91.23 15.1 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -59.78 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.61 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.534 ' CE3' HD12 ' B' ' 149' ' ' LEU . 95.0 m95 -85.6 -21.55 28.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -21.16 52.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -102.83 -4.38 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.534 HD12 ' CE3' ' B' ' 146' ' ' TRP . 6.4 mt -60.74 -31.21 70.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.943 0.402 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -25.29 14.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.561 179.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.783 HG22 ' H ' ' B' ' 153' ' ' LEU . 88.0 m -65.32 -77.93 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 14.9 tpp 64.12 24.22 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.783 ' H ' HG22 ' B' ' 151' ' ' THR . 14.7 mt -125.67 149.52 48.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -173.73 131.27 2.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.548 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -101.7 107.0 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -90.87 158.44 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 157' ' ' ILE . 3.9 mp -92.95 104.75 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -169.18 -45.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.01 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 60.64 49.9 73.55 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 2.4 mt -143.16 99.16 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -175.9 -62.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -114.5 49.08 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.638 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -66.52 120.8 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.485 HG12 ' N ' ' B' ' 166' ' ' SER . 22.2 t -137.3 158.35 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . 0.485 ' N ' HG12 ' B' ' 165' ' ' VAL . 21.9 m -106.93 169.11 8.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.85 92.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 157.19 45.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 14.7 p -161.51 145.55 12.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.25 128.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.55 91.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -149.41 -164.86 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 173' ' ' ILE . 0.1 OUTLIER -111.41 160.54 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.089 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.42 HD23 ' N ' ' B' ' 174' ' ' LEU . 0.4 OUTLIER -113.34 161.6 17.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.87 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.48 77.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.27 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -165.79 163.15 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 103.84 2.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' B' ' 181' ' ' ASP . 2.7 pp -165.32 162.91 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.38 100.78 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 112.99 27.48 3.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.57 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . 0.499 ' HB3' HD13 ' B' ' 178' ' ' LEU . 8.0 p-10 -59.08 -39.87 83.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 19.2 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.183 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.58 88.97 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 0.2 OUTLIER -94.77 127.5 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 6' ' ' ILE . 1.3 tp -109.97 124.69 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 3.0 m -88.68 134.03 34.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.497 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 4' ' ' LEU . 62.0 mt -130.3 138.55 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t70 -98.33 123.45 42.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.031 0.444 . . . . 0.0 109.877 179.009 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.627 ' HE1' HD12 ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.07 162.51 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.749 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.923 HG22 ' HG2' ' A' ' 12' ' ' GLN . 7.4 t -83.65 157.78 22.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.225 179.236 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -47.54 -63.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -49.32 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.923 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -63.65 -40.58 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.699 -178.82 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.579 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 20.9 t-160 -64.65 -21.63 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.685 0.279 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 23.8 mt-30 -83.23 -38.36 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.765 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.67 -45.64 93.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.776 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.805 HD21 ' O ' ' B' ' 135' ' ' LEU . 0.4 OUTLIER -81.23 -45.33 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -62.81 -33.14 74.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.676 -179.671 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' GLN . . . -70.06 -44.77 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.945 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.75 -32.94 69.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 121.566 0.698 . . . . 0.0 110.756 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' N ' ' A' ' 27' ' ' ILE . . . -56.89 -32.02 65.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.46 63.71 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.301 -178.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.13 -19.79 58.19 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.995 -178.652 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -73.92 -9.53 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.849 179.461 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.99 19.33 29.09 Favored Glycine 0 C--N 1.335 0.491 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.429 179.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -160.56 -157.04 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.915 0.358 . . . . 0.0 110.905 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.539 ' C ' ' HB1' ' A' ' 20' ' ' ALA . 2.9 p -112.33 156.55 22.26 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 31' ' ' ALA . 3.3 tt -51.68 -32.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.739 -179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' HG13 ' B' ' 106' ' ' ILE . 2.8 mmmm -50.92 -26.78 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.253 0.549 . . . . 0.0 109.576 178.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.79 -51.76 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.159 178.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.698 ' HE2' HD13 ' A' ' 16' ' ' LEU . 54.1 t80 -58.89 -51.16 71.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.275 -179.352 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.865 ' HB2' HG13 ' A' ' 27' ' ' ILE . . . -65.13 -33.31 75.71 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD11 ' O ' ' B' ' 107' ' ' ASP . 1.1 mt -54.52 -51.28 65.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -72.66 -27.87 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.441 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB3' HD23 ' B' ' 135' ' ' LEU . 0.5 OUTLIER -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.295 -179.379 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' B' ' 134' ' ' ARG . 83.3 mt -77.33 -22.66 51.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -122.66 52.23 3.99 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.265 179.259 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 90.8 Cg_endo -88.0 92.1 0.46 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.338 2.025 . . . . 0.0 112.447 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.88 -56.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -130.81 162.1 30.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.17 8.61 3.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.808 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.45 -75.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.46 68.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 3.4 t0 -56.76 -25.99 56.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -113.49 -34.57 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.95 -73.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -29.61 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.356 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 43' ' ' ASP . 4.0 tp60 -64.11 -21.78 66.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.572 ' HA ' ' CA ' ' A' ' 52' ' ' MET . 24.9 tt0 -87.71 -37.53 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -29.64 69.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -35.21 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.158 178.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 52' ' ' MET . 34.5 m -163.23 -62.98 0.04 OUTLIER 'General case' 0 C--O 1.23 0.078 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.572 ' CA ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 92.0 113.04 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.911 0.386 . . . . 0.0 110.674 -179.309 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.22 159.3 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.79 121.94 7.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.535 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -99.98 154.52 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -74.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -48.72 -29.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.462 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.88 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.4 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -139.47 -46.62 0.46 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 28.19 6.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -163.86 118.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.76 70.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 23.99 77.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.597 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? 46.95 33.15 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.7 t 60.09 30.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 0.3 OUTLIER -114.68 127.29 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 66' ' ' SER . 9.9 t -179.18 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.59 41.23 9.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.408 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 m -87.61 -59.41 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.75 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t 45.93 93.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 81.95 0.73 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.63 44.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.58 95.56 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.32 145.05 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -39.18 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 177.59 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.28 95.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.942 0.401 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.38 155.41 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.3 p -147.63 -51.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 157.73 -27.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.67 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.785 0.326 . . . . 0.0 110.542 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -104.02 21.17 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.174 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.87 71.71 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 7' ' ' ASP . 2.5 ttt180 -98.55 122.41 41.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.62 139.25 44.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.48 . . . . 0.0 111.541 -179.637 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 3.9 m -103.53 120.3 40.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 28' ' ' LYS . 10.2 tt -111.63 148.97 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.733 ' O ' HD11 ' A' ' 32' ' ' LEU . 11.1 t70 -98.85 125.13 44.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.7 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.59 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.81 162.64 27.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.483 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.46 154.81 23.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.49 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.75 -63.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.931 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.21 -35.0 79.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.521 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.475 ' NE2' ' CD2' ' A' ' 36' ' ' PHE . 4.2 mm100 -65.17 -49.21 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.64 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 12.5 t-160 -59.74 -43.63 94.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.484 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -66.99 -32.35 73.53 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.176 0.512 . . . . 0.0 110.458 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.72 ' O ' HD12 ' B' ' 119' ' ' LEU . 0.6 OUTLIER -60.59 -49.28 78.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.408 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.622 HD13 ' HE2' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -81.66 -31.65 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.923 179.387 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 113' ' ' HIS . 0.0 OUTLIER -60.45 -50.21 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.97 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.72 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.81 -47.96 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.323 179.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.51 -35.68 70.82 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -35.09 77.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.262 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -26.24 61.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.833 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.47 25.95 3.29 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.802 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.2 -176.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.8 t -97.55 144.55 27.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' B' ' 131' ' ' ALA . 0.6 OUTLIER -44.72 -34.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.597 0.237 . . . . 0.0 110.984 -179.593 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.51 ' HZ2' ' HA ' ' B' ' 128' ' ' LYS . 0.6 OUTLIER -47.65 -27.19 1.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.109 0.481 . . . . 0.0 110.458 179.146 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.91 -49.76 3.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.555 179.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.622 ' HE2' HD13 ' B' ' 116' ' ' LEU . 40.6 t80 -58.92 -51.74 68.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.959 -178.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' B' ' 127' ' ' ILE . . . -66.13 -36.12 82.29 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.357 0.599 . . . . 0.0 109.807 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.87 -51.81 64.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -73.52 -32.05 64.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.515 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.4 tpt85 -54.99 -34.99 63.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 16' ' ' LEU . 8.2 mt -71.79 -19.46 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 16' ' ' LEU . 2.5 m-85 -125.68 60.74 34.2 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.442 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' B' ' 135' ' ' LEU . 73.4 Cg_endo -92.27 26.53 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.567 2.178 . . . . 0.0 112.551 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 175.97 166.74 33.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.69 140.74 31.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.13 99.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.46 -42.02 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.75 96.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -38.53 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.1 -28.97 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.23 90.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' B' ' 149' ' ' LEU . 44.9 m95 -90.34 24.65 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -110.04 -20.7 12.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -105.06 -15.05 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' B' ' 146' ' ' TRP . 87.7 mt -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.364 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -98.2 -22.78 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 92.1 m -55.8 -32.86 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -85.95 127.65 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -93.16 -165.08 37.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.77 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . 0.642 ' O ' HG22 ' B' ' 157' ' ' ILE . 0.0 OUTLIER -80.44 -77.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.902 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.642 HG22 ' O ' ' B' ' 156' ' ' ARG . 5.4 tt 49.84 168.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.026 179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.81 104.97 3.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -63.23 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . -66.12 77.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' B' ' 165' ' ' VAL . 0.3 OUTLIER -56.58 -63.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.616 0.246 . . . . 0.0 111.08 -179.857 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -176.79 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.409 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 149.85 37.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.008 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? 45.46 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 111.613 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' B' ' 161' ' ' LEU . 25.7 t -140.17 99.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 -19.58 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.35 150.18 3.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.868 0.366 . . . . 0.0 111.095 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.07 86.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 45.8 m -106.76 167.52 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.25 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . 115.51 32.66 1.73 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -93.68 -30.99 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 31.8 mm -87.45 133.59 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.49 163.85 39.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -38.5 81.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.11 145.87 34.75 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.09 148.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 1.4 m -107.8 112.07 24.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 71.0 -116.08 6.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.25 80.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.739 0.304 . . . . 0.0 110.711 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 64.63 23.82 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.231 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 51.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.457 . . . . 0.0 110.751 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' B' ' 107' ' ' ASP . 16.6 ttm105 -95.01 126.89 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -111.71 138.95 47.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.861 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -102.75 135.48 44.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 4' ' ' LEU . 5.2 mt -130.11 125.39 60.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.282 -178.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' C ' ' HG2' ' A' ' 8' ' ' MET . 6.3 t0 -97.43 122.64 40.71 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.743 ' HB2' ' C ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -131.48 165.04 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.512 -178.25 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.519 ' O ' ' N ' ' B' ' 101' ' ' MET . 1.8 p -82.19 122.48 27.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.443 0.639 . . . . 0.0 111.396 -179.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -39.55 -33.66 0.18 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.21 -50.44 73.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.535 HE21 ' HG3' ' B' ' 101' ' ' MET . 0.0 OUTLIER -66.07 -37.61 86.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.668 ' N ' ' HA ' ' B' ' 101' ' ' MET . 8.3 t-160 -47.44 -24.1 0.75 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 111.687 -178.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.648 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 35.9 mt-30 -72.82 -33.22 66.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.053 0.454 . . . . 0.0 109.832 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.857 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.8 -51.49 33.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.642 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' B' ' 135' ' ' LEU . 2.2 tp -83.34 -47.94 10.93 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.735 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.5 -50.03 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.241 -177.865 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -61.08 -37.13 81.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.067 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -70.89 -32.79 69.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.507 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 27' ' ' ILE . . . -59.68 -49.52 77.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.064 179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.92 -30.94 65.87 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 18' ' ' ALA . 4.2 mp -71.41 -43.99 65.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -54.04 -22.79 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.377 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.51 28.11 4.43 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.172 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 15.4 ptpt -160.12 -173.59 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.388 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -101.06 140.84 34.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.803 0.335 . . . . 0.0 110.656 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.16 -34.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 -179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -53.83 -21.74 8.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.811 0.339 . . . . 0.0 110.682 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 -46.41 3.55 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.286 0.565 . . . . 0.0 110.226 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 20' ' ' ALA . 60.9 t80 -58.73 -50.88 72.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.581 -178.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.026 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -65.76 -38.42 89.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.692 0.758 . . . . 0.0 109.317 178.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -58.9 -51.16 71.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.063 -179.492 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 4.6 mm-40 -57.75 -33.12 68.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -178.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.524 HH21 HD13 ' A' ' 16' ' ' LEU . 51.2 mtm180 -90.79 -1.08 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.322 -179.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.744 HD12 ' CE ' ' B' ' 108' ' ' MET . 4.7 mt -77.37 -19.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.667 0.27 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -96.51 -50.53 0.23 Allowed Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.568 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 60.0 Cg_endo -92.78 -87.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 123.222 2.615 . . . . 0.0 113.33 -179.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' ARG . . . 178.49 -135.77 2.74 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.217 -179.629 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -92.31 155.42 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.0 15.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.449 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.17 -32.19 15.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.143 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.89 -25.31 11.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.485 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.49 -32.18 72.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.23 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.17 -54.69 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.224 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.94 -44.58 50.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.445 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -18.52 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -72.59 -23.38 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.86 -18.78 12.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.181 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.68 -30.08 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.416 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.74 -24.37 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.064 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -139.44 89.4 2.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.86 0.362 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 ptp -118.5 152.74 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -103.22 137.06 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.21 79.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.91 120.43 32.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 110.795 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -129.18 54.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.7 mt -125.63 145.16 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.5 38.76 15.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.079 0.466 . . . . 0.0 110.713 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.33 22.78 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.526 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.604 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 46.31 26.81 2.49 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.018 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -169.55 130.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.7 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.26 -28.7 2.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.654 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.36 33.32 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 0.0 110.704 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.48 29.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 67' ' ' THR . 3.3 m -105.26 -174.29 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 66' ' ' SER . 0.7 OUTLIER -170.57 130.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.912 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.36 34.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -43.92 9.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' HG2' ' A' ' 82' ' ' ARG . 21.8 t -112.76 107.15 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.57 119.48 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.38 -44.07 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.1 mm 59.41 98.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 66.08 -71.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -161.93 174.85 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.4 126.7 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.72 111.92 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 79' ' ' SER . 3.3 pp -57.31 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.578 ' HB2' HD12 ' A' ' 78' ' ' LEU . 0.2 OUTLIER 67.65 107.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . . . 81.41 -142.56 23.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.553 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 62.16 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 -179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HG2' HG21 ' A' ' 70' ' ' VAL . 2.8 tpm_? -106.97 22.52 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.47 179.359 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.18 -179.887 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.857 ' HG2' ' CE1' ' B' ' 136' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 8' ' ' MET . 7.8 t 55.49 169.87 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.696 -178.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -93.45 117.47 30.12 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.451 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.68 HD11 ' CG1' ' B' ' 106' ' ' ILE . 0.2 OUTLIER -127.17 132.53 50.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.347 -179.062 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 1.5 m -87.76 120.86 29.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.68 ' CG1' HD11 ' B' ' 104' ' ' LEU . 80.8 mt -109.95 129.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.565 ' O ' HD11 ' A' ' 32' ' ' LEU . 28.6 t0 -97.76 124.71 42.23 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -128.88 162.89 26.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.653 -179.515 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 155.6 23.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -51.01 -59.99 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.959 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.463 ' NE2' HD12 ' B' ' 116' ' ' LEU . 0.0 OUTLIER -62.81 -49.07 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.449 -179.401 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.762 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 13.0 t-160 -55.33 -18.77 7.1 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.331 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 118' ' ' ALA . 33.9 mt-30 -83.4 -34.47 25.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.792 0.33 . . . . 0.0 111.111 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.817 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.2 m -66.4 -49.89 65.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.56 -179.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.991 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -81.96 -40.23 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.693 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.991 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.7 tmtt? -62.42 -49.03 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 114' ' ' GLN . . . -61.36 -42.84 99.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.817 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.84 -33.16 70.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.062 178.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -57.16 -49.47 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.135 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -72.15 -37.05 69.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.803 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.5 mt -66.02 -25.01 66.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.285 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -9.7 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.409 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.86 30.58 6.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 36.6 pttt -160.11 -152.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.2 t -123.0 152.29 41.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.595 0.236 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.908 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -55.4 -23.33 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.756 -179.818 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -17.88 64.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -46.69 3.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.596 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' B' ' 134' ' ' ARG . 55.7 t80 -58.24 -50.91 71.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.225 -178.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.421 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.577 ' C ' HD23 ' B' ' 132' ' ' LEU . 6.1 tt -58.18 -51.42 69.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.703 -179.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.55 -46.04 56.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.5 ' O ' ' HD3' ' B' ' 137' ' ' PRO . 0.0 OUTLIER -49.54 -26.11 3.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.033 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.809 ' HB3' HD22 ' A' ' 16' ' ' LEU . 14.7 mt -77.38 -19.87 55.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 0.0 110.264 179.285 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.857 ' CE1' ' HG2' ' B' ' 101' ' ' MET . 0.8 OUTLIER -139.45 56.04 7.98 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 179.721 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' B' ' 134' ' ' ARG . 50.0 Cg_exo -52.63 -31.35 49.54 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.23 1.953 . . . . 0.0 112.141 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.47 90.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.91 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.57 10.82 2.06 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.824 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.56 -35.16 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.77 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.197 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.24 -26.49 64.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.7 -30.8 63.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.05 83.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -62.79 -20.68 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -89.38 -20.78 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.413 ' HA ' ' HG1' ' B' ' 151' ' ' THR . 0.0 OUTLIER -106.84 -8.14 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.281 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.78 -32.74 72.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.369 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.3 15.65 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.719 179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . 0.565 ' O ' HG22 ' B' ' 151' ' ' THR . 26.6 m -105.39 28.2 7.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.33 117.98 22.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 mt -118.3 94.98 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . -91.99 157.63 24.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -83.68 104.12 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -151.16 -72.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.648 ' O ' HG23 ' B' ' 157' ' ' ILE . 7.7 tp -73.14 98.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.92 65.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -61.2 -30.58 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 115.66 -32.85 5.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 50.47 -166.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 111.226 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -173.67 68.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 97.62 -101.22 2.52 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -155.05 114.86 3.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.51 -179.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 34.8 m -139.32 36.84 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . 0.58 HG21 ' HA2' ' B' ' 171' ' ' GLY . 9.6 p -61.28 131.65 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.2 25.84 11.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 11.4 p 178.94 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.571 ' HB ' HD11 ' B' ' 173' ' ' ILE . 26.3 t -127.78 158.79 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' B' ' 167' ' ' THR . . . -83.11 166.53 44.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.651 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 42.57 54.96 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.983 0.42 . . . . 0.0 111.875 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . 0.571 HD11 ' HB ' ' B' ' 170' ' ' VAL . 25.6 mm -109.31 114.7 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.001 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.93 -66.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.129 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' B' ' 176' ' ' GLU . 1.8 t0 -160.14 -153.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.91 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 175' ' ' ASP . 2.3 tt0 80.05 177.3 0.11 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -168.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.68 30.23 6.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 2.6 p -79.9 96.8 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . 123.33 133.21 4.11 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.73 -37.85 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -144.33 26.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.181 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 108' ' ' MET . 67.0 p -121.91 89.36 3.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' B' ' 105' ' ' THR . 57.8 ttp180 -101.72 128.53 47.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.231 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' B' ' 113' ' ' HIS . 33.9 tp -111.9 139.39 47.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.955 0.407 . . . . 0.0 111.659 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 105' ' ' THR . 16.8 m -105.26 120.96 42.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.352 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -108.77 135.91 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.261 -179.572 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.444 ' HA ' ' HG3' ' B' ' 103' ' ' ARG . 11.2 t70 -97.82 123.03 41.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' B' ' 135' ' ' LEU . 0.0 OUTLIER -130.21 162.17 29.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.008 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -86.72 145.59 26.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.678 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -30.81 -53.53 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -69.21 -41.64 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.174 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' A' ' 9' ' ' THR . 5.9 mm100 -62.37 -49.61 74.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.904 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 14.4 t-160 -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.684 0.278 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -83.48 -31.28 26.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.319 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 19' ' ' LEU . 5.8 t -61.78 -50.69 71.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.989 -179.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.893 HD23 ' HB3' ' B' ' 135' ' ' LEU . 0.2 OUTLIER -82.31 -27.97 31.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.673 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.904 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -62.53 -53.31 56.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.248 -179.461 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.692 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -59.46 -35.66 74.49 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.072 0.463 . . . . 0.0 110.157 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 27' ' ' ILE . . . -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.532 179.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 25' ' ' LYS . . . -71.49 -32.94 68.81 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.714 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -44.03 92.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -25.61 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.51 27.87 3.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.65 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -160.03 -170.64 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.726 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -98.69 152.33 19.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.18 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD11 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.59 -41.05 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.899 -179.654 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' HD11 ' B' ' 106' ' ' ILE . 14.4 mtpt -52.24 -18.32 1.48 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.97 0.414 . . . . 0.0 110.574 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -97.49 -50.97 4.31 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.763 0.792 . . . . 0.0 109.266 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 61.8 t80 -63.25 -50.65 69.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.323 -1.308 . . . . 0.0 111.711 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 35' ' ' LEU . . . -63.95 -38.92 92.87 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.465 0.65 . . . . 0.0 109.314 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.766 ' HB2' HD11 ' B' ' 106' ' ' ILE . 7.6 tp -54.52 -47.77 72.72 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.91 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' O ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mm-40 -70.54 -27.26 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.513 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -16.25 33.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.473 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.726 HD22 ' HB1' ' B' ' 131' ' ' ALA . 7.3 mt -77.37 -18.44 57.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.577 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' B' ' 116' ' ' LEU . 6.6 m-85 -88.46 -50.42 0.41 Allowed Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 36' ' ' PHE . 96.9 Cg_endo -80.87 -166.51 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.758 2.305 . . . . 0.0 112.074 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.88 -82.87 1.67 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.73 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -89.69 147.82 23.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 111.178 -179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.12 10.87 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.456 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.2 -21.93 13.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.172 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.12 -45.42 61.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.305 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.82 -30.14 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -77.51 -29.5 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.75 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.813 ' HA ' HD23 ' A' ' 49' ' ' LEU . 71.2 m95 -90.3 12.12 19.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.549 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -14.12 10.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.405 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -114.4 -17.55 11.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.334 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 46' ' ' TRP . 2.9 pp -60.67 -30.12 69.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.034 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.683 ' HD3' HD11 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -108.27 -22.98 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.377 179.206 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.04 78.88 1.86 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.8 ttp -106.51 138.37 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 53' ' ' LEU . 3.8 pp -91.73 131.45 37.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.43 -166.52 6.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -71.91 -76.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.73 15.54 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.307 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm 63.01 133.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -62.74 171.51 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.7 132.02 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.82 31.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.562 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.623 HD22 ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.64 166.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.445 ' N ' HD22 ' A' ' 61' ' ' LEU . . . -178.21 39.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.76 -38.33 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.629 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t 75.42 138.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -58.8 127.21 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.88 178.39 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -167.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 71' ' ' GLY . 60.6 t 58.85 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 70' ' ' VAL . . . 165.26 -175.4 41.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.542 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -133.14 -175.77 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 72' ' ' GLU . 22.8 mm -129.74 141.76 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.08 -81.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.53 170.76 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.61 64.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -82.45 -169.87 2.66 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -179.01 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -96.04 80.29 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.39 22.31 0.95 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.562 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.56 -49.72 51.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -98.03 -18.14 18.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.852 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.05 179.933 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 74.27 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -101.27 119.84 39.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.709 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.16 132.58 52.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.75 0.31 . . . . 0.0 110.672 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 5' ' ' THR . 11.1 m -105.06 120.94 42.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.936 0.398 . . . . 0.0 109.998 178.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 32' ' ' LEU . 13.2 tt -110.41 141.76 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.112 -178.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -97.8 124.74 42.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.763 178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' MET . . . . . 0.6 ' HE2' HD13 ' B' ' 106' ' ' ILE . 0.0 OUTLIER -128.74 163.23 25.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.868 -179.399 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.605 HG22 ' CG ' ' B' ' 112' ' ' GLN . 0.4 OUTLIER -83.21 157.12 22.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.389 179.774 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.93 -72.76 0.05 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.95 79.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.631 ' OE1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.74 -40.59 69.47 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.06 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' HIS . . . . . 0.85 ' O ' ' HB2' ' B' ' 117' ' ' LYS . 14.3 t-160 -66.29 -31.78 72.79 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.946 0.403 . . . . 0.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -72.92 -27.1 61.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.023 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.873 ' O ' HD12 ' B' ' 119' ' ' LEU . 1.4 m -65.06 -51.19 62.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.571 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.903 HD22 ' N ' ' B' ' 117' ' ' LYS . 0.0 OUTLIER -83.01 -36.59 24.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.959 -0.297 . . . . 0.0 111.321 178.809 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.903 ' N ' HD22 ' B' ' 116' ' ' LEU . 9.8 tmtt? -56.94 -52.09 66.6 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.983 0.42 . . . . 0.0 110.364 179.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.76 87.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.012 179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.873 HD12 ' O ' ' B' ' 115' ' ' SER . 0.2 OUTLIER -58.98 -32.2 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.258 179.002 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.595 ' CB ' ' HA ' ' B' ' 127' ' ' ILE . . . -56.17 -50.83 70.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.597 179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 125' ' ' LYS . . . -71.66 -32.56 68.03 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.561 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.45 -27.94 66.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -25.0 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 116.96 23.67 3.85 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.748 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 121' ' ' ALA . 0.0 OUTLIER -160.22 -177.86 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 2.6 p -91.12 145.58 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.898 HG21 ' HG2' ' B' ' 117' ' ' LYS . 0.1 OUTLIER -51.64 -37.42 19.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.999 -179.702 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -58.29 -20.19 40.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.251 0.548 . . . . 0.0 109.724 177.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.33 -49.48 4.24 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.22 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' B' ' 127' ' ' ILE . 58.9 t80 -58.61 -50.51 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.737 -178.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.837 ' HB2' ' CD1' ' B' ' 127' ' ' ILE . . . -65.23 -33.56 76.28 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' B' ' 136' ' ' PHE . 17.4 tp -60.69 -50.05 75.06 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.334 -179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 133' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.02 -27.63 62.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.827 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' B' ' 137' ' ' PRO . 0.1 OUTLIER -65.44 -40.06 92.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.697 -179.203 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.893 ' HB3' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -70.63 -19.98 62.77 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 136' ' ' PHE . . . . . 0.468 ' CZ ' HD12 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -130.24 62.78 66.28 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.817 178.44 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.468 ' HG3' ' O ' ' B' ' 134' ' ' ARG . 63.4 Cg_endo -92.25 164.23 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.614 2.209 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.84 76.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.11 -178.17 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -137.95 9.75 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.801 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.15 -54.3 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.54 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -33.04 71.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -69.25 -39.17 78.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.62 87.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 146' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -90.23 19.71 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.571 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 147' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -126.88 33.16 4.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.65 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.808 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.62 -29.91 69.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -31.12 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.536 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 1.3 m -153.68 91.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.9 ptp -87.16 103.1 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.14 -52.29 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 103.68 162.1 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.546 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.43 116.33 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 61.4 157.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 157' ' ' ILE . . . . . 0.651 ' O ' HD12 ' B' ' 157' ' ' ILE . 1.5 pp -59.53 95.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -65.8 169.61 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -159.61 66.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 160' ' ' GLY . . . . . . . . . . . . . . . 85.29 -6.87 78.24 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.805 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.27 -20.21 58.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 111.237 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 162' ' ' ALA . . . . . . . . . . . . . . . -158.74 36.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 80.54 56.97 3.02 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.613 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 164' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 69.49 -64.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.066 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 11.2 t 72.7 89.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 166' ' ' SER . . . . . . . . . . . . . 3.9 m -136.79 159.48 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 167' ' ' THR . . . . . . . . . . . . . 9.8 t -88.68 50.67 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -30.99 42.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.766 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.03 149.05 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 170' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 171' ' ' GLY . 59.5 t 58.99 158.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.434 ' N ' HG12 ' B' ' 170' ' ' VAL . . . 150.99 -45.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -113.03 145.92 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 173' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.61 110.9 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 -66.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 132.62 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.43 102.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.85 92.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.85 30.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 180' ' ' GLY . . . . . . . . . . . . . . . -150.93 20.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.661 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 181' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -51.59 53.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -115.17 21.8 13.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.791 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.227 -179.92 . . . . . . . . 0 0 . 1 stop_ save_